2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide

C20H27N5O — CID 109360632

IUPAC2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cccc(N2CCN(c3cc(C(=O)NC(C)C)nc(C)n3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-14(2)21-20(26)18-13-19(23-16(4)22-18)25-10-8-24(9-11-25)17-7-5-6-15(3)12-17/h5-7,12-14H,8-11H2,1-4H3,(H,21,26)
InChIKeyMQBTVFZJUNMTQN-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.56
Rot. Bonds4

About 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide

2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109360632) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109360632
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cccc(N2CCN(c3cc(C(=O)NC(C)C)nc(C)n3)CC2)c1
InChIInChI=1S/C20H27N5O/c1-14(2)21-20(26)18-13-19(23-16(4)22-18)25-10-8-24(9-11-25)17-7-5-6-15(3)12-17/h5-7,12-14H,8-11H2,1-4H3,(H,21,26)
InChIKeyMQBTVFZJUNMTQN-UHFFFAOYSA-N
XLogP2.56
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109364854
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361413
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109373111
6-(4-ethylpiperazin-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360588
2-methyl-6-morpholin-4-yl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360582
6-(4-benzylpiperazin-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360619
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109366897
N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372607
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338891
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidine-4-carboxamide
CID 109362582
N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372608
6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide (CID 109360632) is 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide is Cc1cccc(N2CCN(c3cc(C(=O)NC(C)C)nc(C)n3)CC2)c1.
What is the InChIKey of 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is MQBTVFZJUNMTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14(2)21-20(26)18-13-19(23-16(4)22-18)25-10-8-24(9-11-25)17-7-5-6-15(3)12-17/h5-7,12-14H,8-11H2,1-4H3,(H,21,26).
What are the key properties of 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide?
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).