3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C14H23N5O — CID 72907037

IUPAC3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1nc(N)nc(NCCC(=O)N2CCCC2)c1C
InChIInChI=1S/C14H23N5O/c1-3-11-10(2)13(18-14(15)17-11)16-7-6-12(20)19-8-4-5-9-19/h3-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyJPQLTFQMSPPZAB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.35
Rot. Bonds5

About 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 72907037) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID72907037
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1nc(N)nc(NCCC(=O)N2CCCC2)c1C
InChIInChI=1S/C14H23N5O/c1-3-11-10(2)13(18-14(15)17-11)16-7-6-12(20)19-8-4-5-9-19/h3-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyJPQLTFQMSPPZAB-UHFFFAOYSA-N
XLogP1.35
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 71696040
1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclobutylmethanone
CID 89752448
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 89752453
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
4-N-butyl-6-methyl-5-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271038
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
CID 71696042
1-{[1-(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-4-yl]methyl}pyrrolidin-2-one
CID 46988620
N-{2-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl}acetamide
CID 50950552
N-{1-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-YL]piperidin-4-YL}acetamide
CID 50961015

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 72907037) is 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CCc1nc(N)nc(NCCC(=O)N2CCCC2)c1C.
What is the InChIKey of 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is JPQLTFQMSPPZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-11-10(2)13(18-14(15)17-11)16-7-6-12(20)19-8-4-5-9-19/h3-9H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 277.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 72907037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).