2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

C18H25N5O — CID 112888158

IUPAC2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1ccc(Nc2ccnc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C18H25N5O/c1-14(2)24-16-6-4-15(5-7-16)20-17-8-9-19-18(21-17)23-12-10-22(3)11-13-23/h4-9,14H,10-13H2,1-3H3,(H,19,20,21)
InChIKeyJNNBMOYHZZBGKQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.76
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 112888158) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID112888158
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1ccc(Nc2ccnc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C18H25N5O/c1-14(2)24-16-6-4-15(5-7-16)20-17-8-9-19-18(21-17)23-12-10-22(3)11-13-23/h4-9,14H,10-13H2,1-3H3,(H,19,20,21)
InChIKeyJNNBMOYHZZBGKQ-UHFFFAOYSA-N
XLogP2.76
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112885330
ethyl 4-[4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112898032
2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 112888173
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884090
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905183
N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888177
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
CID 112901716
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112914411
(4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109302309
N-(4-methoxyphenyl)-2-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 123219262
2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112896348

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 112888158) is 2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is CC(C)Oc1ccc(Nc2ccnc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is JNNBMOYHZZBGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(2)24-16-6-4-15(5-7-16)20-17-8-9-19-18(21-17)23-12-10-22(3)11-13-23/h4-9,14H,10-13H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 327.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112888158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).