N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide

C18H29N5O2 — CID 46958237

IUPACN-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1cc(N2CCOCC2)nc(NC2CC2)n1
InChIInChI=1S/C18H29N5O2/c1-18(2,3)16(24)19-7-6-14-12-15(23-8-10-25-11-9-23)22-17(21-14)20-13-4-5-13/h12-13H,4-11H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyASXRJLKVOTUAFU-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.59
Rot. Bonds6

About N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 46958237) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID46958237
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1cc(N2CCOCC2)nc(NC2CC2)n1
InChIInChI=1S/C18H29N5O2/c1-18(2,3)16(24)19-7-6-14-12-15(23-8-10-25-11-9-23)22-17(21-14)20-13-4-5-13/h12-13H,4-11H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyASXRJLKVOTUAFU-UHFFFAOYSA-N
XLogP1.59
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide (CID 46958237) is N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCc1cc(N2CCOCC2)nc(NC2CC2)n1.
What is the InChIKey of N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is ASXRJLKVOTUAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-18(2,3)16(24)19-7-6-14-12-15(23-8-10-25-11-9-23)22-17(21-14)20-13-4-5-13/h12-13H,4-11H2,1-3H3,(H,19,24)(H,20,21,22).
What are the key properties of N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 46958237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).