5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

C15H25N5O — CID 80942891

IUPAC5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCCNc1cc(NCC2CCC(=O)N2)nc(CCC)n1
InChIInChI=1S/C15H25N5O/c1-3-5-12-19-13(16-8-4-2)9-14(20-12)17-10-11-6-7-15(21)18-11/h9,11H,3-8,10H2,1-2H3,(H,18,21)(H2,16,17,19,20)
InChIKeyJDLLPQDYVVWFHI-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.94
Rot. Bonds8

About 5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one

5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 80942891) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
PubChem CID80942891
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
SMILESCCCNc1cc(NCC2CCC(=O)N2)nc(CCC)n1
InChIInChI=1S/C15H25N5O/c1-3-5-12-19-13(16-8-4-2)9-14(20-12)17-10-11-6-7-15(21)18-11/h9,11H,3-8,10H2,1-2H3,(H,18,21)(H2,16,17,19,20)
InChIKeyJDLLPQDYVVWFHI-UHFFFAOYSA-N
XLogP1.94
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80836843
5-[[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 113401871
3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80949592
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one
CID 80823724
5-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80823542
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80938259
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80954586
4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80940576
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
5-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80837512

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one (CID 80942891) is 5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is CCCNc1cc(NCC2CCC(=O)N2)nc(CCC)n1.
What is the InChIKey of 5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is JDLLPQDYVVWFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-5-12-19-13(16-8-4-2)9-14(20-12)17-10-11-6-7-15(21)18-11/h9,11H,3-8,10H2,1-2H3,(H,18,21)(H2,16,17,19,20).
What are the key properties of 5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one?
5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80942891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).