6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide

C20H22Cl2F2N6O — CID 155089505

IUPAC6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)nc(N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C20H22Cl2F2N6O/c21-11-3-1-2-10(14(11)22)13-15(17(27)31)28-18(29-16(13)26)30-6-4-19(5-7-30)9-20(23,24)8-12(19)25/h1-3,12H,4-9,25H2,(H2,27,31)(H2,26,28,29)/t12-/m1/s1
InChIKeyHUMLLBWKKNGQOY-GFCCVEGCSA-N
MW471.34 g/mol
LogP3.47
Rot. Bonds3

About 6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide

6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide (PubChem CID 155089505) has the molecular formula C20H22Cl2F2N6O and a molecular weight of 471.34 g/mol. Its IUPAC name is 6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
PubChem CID155089505
Molecular FormulaC20H22Cl2F2N6O
Molecular Weight471.34 g/mol
Exact Mass470.12
IUPAC Name6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)nc(N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C20H22Cl2F2N6O/c21-11-3-1-2-10(14(11)22)13-15(17(27)31)28-18(29-16(13)26)30-6-4-19(5-7-30)9-20(23,24)8-12(19)25/h1-3,12H,4-9,25H2,(H2,27,31)(H2,26,28,29)/t12-/m1/s1
InChIKeyHUMLLBWKKNGQOY-GFCCVEGCSA-N
XLogP3.47
TPSA124.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide (CID 155089505) is 6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide is NC(=O)c1nc(N2CCC3(CC2)CC(F)(F)C[C@H]3N)nc(N)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is HUMLLBWKKNGQOY-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22Cl2F2N6O/c21-11-3-1-2-10(14(11)22)13-15(17(27)31)28-18(29-16(13)26)30-6-4-19(5-7-30)9-20(23,24)8-12(19)25/h1-3,12H,4-9,25H2,(H2,27,31)(H2,26,28,29)/t12-/m1/s1.
What are the key properties of 6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide has a molecular weight of 471.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 155089505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).