6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide

C21H29N5O — CID 109372587

IUPAC6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC(C)(C)C)cc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C21H29N5O/c1-16-22-18(20(27)24-21(2,3)4)14-19(23-16)26-12-10-25(11-13-26)15-17-8-6-5-7-9-17/h5-9,14H,10-13,15H2,1-4H3,(H,24,27)
InChIKeyNERNCSMGSSVUER-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.64
Rot. Bonds4

About 6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide

6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109372587) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide
PubChem CID109372587
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC(C)(C)C)cc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C21H29N5O/c1-16-22-18(20(27)24-21(2,3)4)14-19(23-16)26-12-10-25(11-13-26)15-17-8-6-5-7-9-17/h5-9,14H,10-13,15H2,1-4H3,(H,24,27)
InChIKeyNERNCSMGSSVUER-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372607
6-(4-benzylpiperazin-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360619
6-(4-acetylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide
CID 109367737
5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide
CID 109193366
N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870213
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757
6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873221
N-(2,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367223
N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367173
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
6-(azepan-1-yl)-N-(2-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847694
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide (CID 109372587) is 6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide is Cc1nc(C(=O)NC(C)(C)C)cc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is NERNCSMGSSVUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-16-22-18(20(27)24-21(2,3)4)14-19(23-16)26-12-10-25(11-13-26)15-17-8-6-5-7-9-17/h5-9,14H,10-13,15H2,1-4H3,(H,24,27).
What are the key properties of 6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide?
6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109372587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).