4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine

C20H29N5 — CID 112908701

IUPAC4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)nc(NCC(C)C)n1
InChIInChI=1S/C20H29N5/c1-16(2)14-21-20-22-17(3)13-19(23-20)25-11-9-24(10-12-25)15-18-7-5-4-6-8-18/h4-8,13,16H,9-12,14-15H2,1-3H3,(H,21,22,23)
InChIKeyROINACCERKIZSF-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.18
Rot. Bonds6

About 4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine

4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 112908701) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID112908701
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccccc3)CC2)nc(NCC(C)C)n1
InChIInChI=1S/C20H29N5/c1-16(2)14-21-20-22-17(3)13-19(23-20)25-11-9-24(10-12-25)15-18-7-5-4-6-8-18/h4-8,13,16H,9-12,14-15H2,1-3H3,(H,21,22,23)
InChIKeyROINACCERKIZSF-UHFFFAOYSA-N
XLogP3.18
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidin-2-amine
CID 112922111
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine
CID 7390893
4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine
CID 112922173
N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112915664
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
CID 15603169
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112923605
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 56699104
4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112896286
4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913833
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine (CID 112908701) is 4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine is Cc1cc(N2CCN(Cc3ccccc3)CC2)nc(NCC(C)C)n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is ROINACCERKIZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-16(2)14-21-20-22-17(3)13-19(23-20)25-11-9-24(10-12-25)15-18-7-5-4-6-8-18/h4-8,13,16H,9-12,14-15H2,1-3H3,(H,21,22,23).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 339.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 112908701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).