N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

C20H27N5O — CID 109372607

IUPACN-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC(C)(C)C)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-15-21-17(19(26)23-20(2,3)4)14-18(22-15)25-12-10-24(11-13-25)16-8-6-5-7-9-16/h5-9,14H,10-13H2,1-4H3,(H,23,26)
InChIKeyBPRHPVPPWNOHCF-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.64
Rot. Bonds3

About N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide

N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109372607) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109372607
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC(C)(C)C)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-15-21-17(19(26)23-20(2,3)4)14-18(22-15)25-12-10-24(11-13-25)16-8-6-5-7-9-16/h5-9,14H,10-13H2,1-4H3,(H,23,26)
InChIKeyBPRHPVPPWNOHCF-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide
CID 109372587
6-(4-acetylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide
CID 109367737
N-cycloheptyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109372608
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360632
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
N-tert-butyl-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109373876
6-(4-formylpiperazin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109367441

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109372607) is N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is Cc1nc(C(=O)NC(C)(C)C)cc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is BPRHPVPPWNOHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15-21-17(19(26)23-20(2,3)4)14-18(22-15)25-12-10-24(11-13-25)16-8-6-5-7-9-16/h5-9,14H,10-13H2,1-4H3,(H,23,26).
What are the key properties of N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109372607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).