2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide

C20H24F2N8O3 — CID 162533296

IUPAC2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide
SMILESNCC(=O)Nc1ncc(-c2cc(N3CC4(COC4)C3)nc(N3CCOCC3)n2)c(C(F)F)n1
InChIInChI=1S/C20H24F2N8O3/c21-17(22)16-12(7-24-18(28-16)27-15(31)6-23)13-5-14(30-8-20(9-30)10-33-11-20)26-19(25-13)29-1-3-32-4-2-29/h5,7,17H,1-4,6,8-11,23H2,(H,24,27,28,31)
InChIKeyHNWPZVDNCOLLJW-UHFFFAOYSA-N
MW462.46 g/mol
LogP0.44
Rot. Bonds6

About 2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide

2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide (PubChem CID 162533296) has the molecular formula C20H24F2N8O3 and a molecular weight of 462.46 g/mol. Its IUPAC name is 2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide
PubChem CID162533296
Molecular FormulaC20H24F2N8O3
Molecular Weight462.46 g/mol
Exact Mass462.19
IUPAC Name2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide
SMILESNCC(=O)Nc1ncc(-c2cc(N3CC4(COC4)C3)nc(N3CCOCC3)n2)c(C(F)F)n1
InChIInChI=1S/C20H24F2N8O3/c21-17(22)16-12(7-24-18(28-16)27-15(31)6-23)13-5-14(30-8-20(9-30)10-33-11-20)26-19(25-13)29-1-3-32-4-2-29/h5,7,17H,1-4,6,8-11,23H2,(H,24,27,28,31)
InChIKeyHNWPZVDNCOLLJW-UHFFFAOYSA-N
XLogP0.44
TPSA131.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide with MolForge

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Related Compounds

N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide
CID 118565656
5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 162533300
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 151222565
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea
CID 145053350
4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyridin-2-amine;4-(difluoromethyl)-5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)pyrimidin-2-amine;4-(difluoromethyl)-5-(4-morpholin-4-yl-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl)pyridin-2-amine
CID 158059249
5-[2,6-bis[(2S)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-4-(difluoromethyl)pyrimidin-2-amine
CID 172744621
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea
CID 141438349
N-[2-[[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl]icosa-5,8,11,14,17-pentaenamide
CID 123997428
2,6-dimorpholin-4-ylpyrimidine-4-carboxylate
CID 6989309
4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
CID 172825051
8-[4-[4-(difluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 145403096

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide?
The IUPAC name of 2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide (CID 162533296) is 2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide is NCC(=O)Nc1ncc(-c2cc(N3CC4(COC4)C3)nc(N3CCOCC3)n2)c(C(F)F)n1.
What is the InChIKey of 2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide?
The InChIKey is HNWPZVDNCOLLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N8O3/c21-17(22)16-12(7-24-18(28-16)27-15(31)6-23)13-5-14(30-8-20(9-30)10-33-11-20)26-19(25-13)29-1-3-32-4-2-29/h5,7,17H,1-4,6,8-11,23H2,(H,24,27,28,31).
What are the key properties of 2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide?
2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide has a molecular weight of 462.46 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(difluoromethyl)-5-[2-morpholin-4-yl-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 162533296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).