2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone

C14H23N5O — CID 80799613

IUPAC2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
SMILESCCCNc1cc(N(C)CC(=O)N2CCCC2)ncn1
InChIInChI=1S/C14H23N5O/c1-3-6-15-12-9-13(17-11-16-12)18(2)10-14(20)19-7-4-5-8-19/h9,11H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyALGGCWBOHADEKR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.36
Rot. Bonds6

About 2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone

2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 80799613) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID80799613
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
SMILESCCCNc1cc(N(C)CC(=O)N2CCCC2)ncn1
InChIInChI=1S/C14H23N5O/c1-3-6-15-12-9-13(17-11-16-12)18(2)10-14(20)19-7-4-5-8-19/h9,11H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyALGGCWBOHADEKR-UHFFFAOYSA-N
XLogP1.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 80799693
4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796879
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 105420977
1-[[6-(2-cyclobutylethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266298
3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53188596
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80775376
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805676
2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
CID 120965297
methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
CID 115264973
4-N-methyl-6-N-propyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80787031
1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266292
2-methyl-3-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80810451

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone (CID 80799613) is 2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone is CCCNc1cc(N(C)CC(=O)N2CCCC2)ncn1.
What is the InChIKey of 2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is ALGGCWBOHADEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-6-15-12-9-13(17-11-16-12)18(2)10-14(20)19-7-4-5-8-19/h9,11H,3-8,10H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone?
2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 277.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 80799613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).