2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone

C14H23N5O — CID 61241523

IUPAC2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
SMILESCC(C)c1cc(N(C)CC(=O)N2CCNCC2)ncn1
InChIInChI=1S/C14H23N5O/c1-11(2)12-8-13(17-10-16-12)18(3)9-14(20)19-6-4-15-5-7-19/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyHTIWDJRPKMQEQM-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.47
Rot. Bonds4

About 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone

2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 61241523) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
PubChem CID61241523
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
SMILESCC(C)c1cc(N(C)CC(=O)N2CCNCC2)ncn1
InChIInChI=1S/C14H23N5O/c1-11(2)12-8-13(17-10-16-12)18(3)9-14(20)19-6-4-15-5-7-19/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyHTIWDJRPKMQEQM-UHFFFAOYSA-N
XLogP0.47
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 62137503
2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
CID 61017410
2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 39256203
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 80671924
2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
CID 80799613
2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61017902
3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one
CID 114570905
2-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 106998065
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
CID 119915287
2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 54904291

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone (CID 61241523) is 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone is CC(C)c1cc(N(C)CC(=O)N2CCNCC2)ncn1.
What is the InChIKey of 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is HTIWDJRPKMQEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(2)12-8-13(17-10-16-12)18(3)9-14(20)19-6-4-15-5-7-19/h8,10-11,15H,4-7,9H2,1-3H3.
What are the key properties of 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone?
2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 277.37 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61241523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).