3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one

C19H31N5O — CID 121031730

IUPAC3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCNc1cc(C)nc(N2CCN(C(=O)CCC3CCCC3)CC2)n1
InChIInChI=1S/C19H31N5O/c1-3-20-17-14-15(2)21-19(22-17)24-12-10-23(11-13-24)18(25)9-8-16-6-4-5-7-16/h14,16H,3-13H2,1-2H3,(H,20,21,22)
InChIKeyMDOAELRFNQLHSD-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.84
Rot. Bonds6

About 3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 121031730) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
PubChem CID121031730
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCNc1cc(C)nc(N2CCN(C(=O)CCC3CCCC3)CC2)n1
InChIInChI=1S/C19H31N5O/c1-3-20-17-14-15(2)21-19(22-17)24-12-10-23(11-13-24)18(25)9-8-16-6-4-5-7-16/h14,16H,3-13H2,1-2H3,(H,20,21,22)
InChIKeyMDOAELRFNQLHSD-UHFFFAOYSA-N
XLogP2.84
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 18566443
3-cyclohexyl-1-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121090195
3-cyclopentyl-1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122350751
(3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 18566483
1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 122346111
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 122346193
(5-bromo-3-pyridinyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346104
(3-bromophenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 18566462
(3,5-dinitrophenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 121031744
2-(1,2-benzoxazol-3-yl)-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 56699603
1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 118549624

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one (CID 121031730) is 3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one is CCNc1cc(C)nc(N2CCN(C(=O)CCC3CCCC3)CC2)n1.
What is the InChIKey of 3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is MDOAELRFNQLHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-3-20-17-14-15(2)21-19(22-17)24-12-10-23(11-13-24)18(25)9-8-16-6-4-5-7-16/h14,16H,3-13H2,1-2H3,(H,20,21,22).
What are the key properties of 3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 345.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 121031730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).