N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C19H27N5 — CID 112887993

IUPACN-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccnc(Nc3ccccc3C(C)(C)C)n2)CC1
InChIInChI=1S/C19H27N5/c1-19(2,3)15-7-5-6-8-16(15)21-18-20-10-9-17(22-18)24-13-11-23(4)12-14-24/h5-10H,11-14H2,1-4H3,(H,20,21,22)
InChIKeyRANRKGWPYOYTLM-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.27
Rot. Bonds3

About N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112887993) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112887993
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccnc(Nc3ccccc3C(C)(C)C)n2)CC1
InChIInChI=1S/C19H27N5/c1-19(2,3)15-7-5-6-8-16(15)21-18-20-10-9-17(22-18)24-13-11-23(4)12-14-24/h5-10H,11-14H2,1-4H3,(H,20,21,22)
InChIKeyRANRKGWPYOYTLM-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888061
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 112894284
2-tert-butyl-4-(4-methylpiperazin-1-yl)pyrimidine
CID 140914815
4-[2-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888570
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888014
2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882053
N-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898936
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898785
1-[4-[2-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888867
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-2-amine
CID 112898304
4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887514
N-(2-tert-butylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914216

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 112887993) is N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2ccnc(Nc3ccccc3C(C)(C)C)n2)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is RANRKGWPYOYTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-19(2,3)15-7-5-6-8-16(15)21-18-20-10-9-17(22-18)24-13-11-23(4)12-14-24/h5-10H,11-14H2,1-4H3,(H,20,21,22).
What are the key properties of N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 325.46 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112887993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).