1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one

C15H25N5O — CID 80983649

IUPAC1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
SMILESCCCNc1nc(CC)nc(N2CCNC(=O)CC2)c1C
InChIInChI=1S/C15H25N5O/c1-4-7-17-14-11(3)15(19-12(5-2)18-14)20-9-6-13(21)16-8-10-20/h4-10H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyJHNSCPFRMHIITA-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.50
Rot. Bonds5

About 1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one

1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one (PubChem CID 80983649) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
PubChem CID80983649
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
SMILESCCCNc1nc(CC)nc(N2CCNC(=O)CC2)c1C
InChIInChI=1S/C15H25N5O/c1-4-7-17-14-11(3)15(19-12(5-2)18-14)20-9-6-13(21)16-8-10-20/h4-10H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyJHNSCPFRMHIITA-UHFFFAOYSA-N
XLogP1.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80992565
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80831098
2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
CID 80983428
1-[5-bromo-2-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80830813
1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 80981249
2-cyclopropyl-5-methyl-6-piperazin-1-yl-N-propylpyrimidin-4-amine
CID 80984339
2-ethyl-5-methyl-N-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80992240
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80992555
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2,5-dimethyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80767316
2-ethyl-5-methyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332058

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one?
The IUPAC name of 1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one (CID 80983649) is 1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one is CCCNc1nc(CC)nc(N2CCNC(=O)CC2)c1C.
What is the InChIKey of 1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one?
The InChIKey is JHNSCPFRMHIITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-7-17-14-11(3)15(19-12(5-2)18-14)20-9-6-13(21)16-8-10-20/h4-10H2,1-3H3,(H,16,21)(H,17,18,19).
What are the key properties of 1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one?
1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one has a molecular weight of 291.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one is sourced from PubChem (CID 80983649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).