N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

C19H27N5 — CID 112898153

IUPACN-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3nccc(NC(C)(C)C)n3)CC2)c1
InChIInChI=1S/C19H27N5/c1-15-6-5-7-16(14-15)23-10-12-24(13-11-23)18-20-9-8-17(21-18)22-19(2,3)4/h5-9,14H,10-13H2,1-4H3,(H,20,21,22)
InChIKeySYQSZSLHUPUFKF-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.32
Rot. Bonds3

About N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine

N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112898153) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112898153
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1cccc(N2CCN(c3nccc(NC(C)(C)C)n3)CC2)c1
InChIInChI=1S/C19H27N5/c1-15-6-5-7-16(14-15)23-10-12-24(13-11-23)18-20-9-8-17(21-18)22-19(2,3)4/h5-9,14H,10-13H2,1-4H3,(H,20,21,22)
InChIKeySYQSZSLHUPUFKF-UHFFFAOYSA-N
XLogP3.32
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 112882024
N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884796
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898168
N-[(4-fluorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112891387
2-[[2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzonitrile
CID 112898203
4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888119
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 112898411
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898253
2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide
CID 109310347
N-(4-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310350
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310359
N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297331

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112898153) is N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is Cc1cccc(N2CCN(c3nccc(NC(C)(C)C)n3)CC2)c1.
What is the InChIKey of N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is SYQSZSLHUPUFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-15-6-5-7-16(14-15)23-10-12-24(13-11-23)18-20-9-8-17(21-18)22-19(2,3)4/h5-9,14H,10-13H2,1-4H3,(H,20,21,22).
What are the key properties of N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine?
N-tert-butyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 3.32, 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-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112898153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).