[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C20H27N5O — CID 109362356

IUPAC[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCC(C)Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C20H27N5O/c1-4-15(2)21-19-14-18(22-16(3)23-19)20(26)25-12-10-24(11-13-25)17-8-6-5-7-9-17/h5-9,14-15H,4,10-13H2,1-3H3,(H,21,22,23)
InChIKeyQFFVNQSEYOGPHB-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.96
Rot. Bonds5

About [6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109362356) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is [6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109362356
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCC(C)Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C20H27N5O/c1-4-15(2)21-19-14-18(22-16(3)23-19)20(26)25-12-10-24(11-13-25)17-8-6-5-7-9-17/h5-9,14-15H,4,10-13H2,1-3H3,(H,21,22,23)
InChIKeyQFFVNQSEYOGPHB-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109362393
[6-[[(2R)-butan-2-yl]amino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 97458122
[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109372642
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109321239
azepan-1-yl-[2-methyl-6-(1-phenylethylamino)pyrimidin-4-yl]methanone
CID 109369163
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109361604
[2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109360380
(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110702833
N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109362341
ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate
CID 109373077

Frequently Asked Questions

What is the IUPAC name of [6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109362356) is [6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is CCC(C)Nc1cc(C(=O)N2CCN(c3ccccc3)CC2)nc(C)n1.
What is the InChIKey of [6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is QFFVNQSEYOGPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-4-15(2)21-19-14-18(22-16(3)23-19)20(26)25-12-10-24(11-13-25)17-8-6-5-7-9-17/h5-9,14-15H,4,10-13H2,1-3H3,(H,21,22,23).
What are the key properties of [6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109362356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).