2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine

C22H32N6 — CID 112870788

IUPAC2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(N3CCC(C)CC3)cc2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H32N6/c1-17-8-10-27(11-9-17)20-6-4-19(5-7-20)25-21-16-22(24-18(2)23-21)28-14-12-26(3)13-15-28/h4-7,16-17H,8-15H2,1-3H3,(H,23,24,25)
InChIKeyLPOIHWRHXMREMP-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.52
Rot. Bonds4

About 2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine

2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine (PubChem CID 112870788) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
PubChem CID112870788
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(N3CCC(C)CC3)cc2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C22H32N6/c1-17-8-10-27(11-9-17)20-6-4-19(5-7-20)25-21-16-22(24-18(2)23-21)28-14-12-26(3)13-15-28/h4-7,16-17H,8-15H2,1-3H3,(H,23,24,25)
InChIKeyLPOIHWRHXMREMP-UHFFFAOYSA-N
XLogP3.52
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112870787
6-(4-ethylpiperazin-1-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
CID 112870952
2-methyl-6-(4-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112869239
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 99968449
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112878930
6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112870948
2-methyl-6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112869240
methyl 4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 99968498
N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109361116
2-methyl-6-N-(3-methylbutyl)-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112876201
6-N-(furan-2-ylmethyl)-2-methyl-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112871445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine (CID 112870788) is 2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine is Cc1nc(Nc2ccc(N3CCC(C)CC3)cc2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine?
The InChIKey is LPOIHWRHXMREMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-17-8-10-27(11-9-17)20-6-4-19(5-7-20)25-21-16-22(24-18(2)23-21)28-14-12-26(3)13-15-28/h4-7,16-17H,8-15H2,1-3H3,(H,23,24,25).
What are the key properties of 2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine?
2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine has a molecular weight of 380.54 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 112870788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).