4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine

C19H24ClN7 — CID 137382596

IUPAC4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine
SMILESCn1nccc1-c1nc(C(C)(C)C)nc(N(N)Cc2ccccc2Cl)c1N
InChIInChI=1S/C19H24ClN7/c1-19(2,3)18-24-16(14-9-10-23-26(14)4)15(21)17(25-18)27(22)11-12-7-5-6-8-13(12)20/h5-10H,11,21-22H2,1-4H3
InChIKeyBIJTVACMTBTHKT-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.29
Rot. Bonds4

About 4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine

4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine (PubChem CID 137382596) has the molecular formula C19H24ClN7 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine
PubChem CID137382596
Molecular FormulaC19H24ClN7
Molecular Weight385.90 g/mol
Exact Mass385.18
IUPAC Name4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine
SMILESCn1nccc1-c1nc(C(C)(C)C)nc(N(N)Cc2ccccc2Cl)c1N
InChIInChI=1S/C19H24ClN7/c1-19(2,3)18-24-16(14-9-10-23-26(14)4)15(21)17(25-18)27(22)11-12-7-5-6-8-13(12)20/h5-10H,11,21-22H2,1-4H3
InChIKeyBIJTVACMTBTHKT-UHFFFAOYSA-N
XLogP3.29
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidine
CID 121320519
4-[amino-[(2-chlorophenyl)methyl]amino]-6-(3,3-difluoropyrrolidin-1-yl)-2-propan-2-ylsulfonylpyrimidin-5-amine
CID 144802519
[2-[[amino-[5-amino-2-tert-butyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-4-yl]amino]methyl]phenyl]methanesulfonyl fluoride
CID 145421188
1-[5-amino-4-[amino-[(2-chlorophenyl)methyl]amino]-6-(3,3-difluoropyrrolidin-1-yl)pyrimidin-1-ium-2-yl]sulfanylpropan-2-ol
CID 144802567
2-[[amino-[5-amino-6-chloro-2-[difluoro(phenyl)methyl]pyrimidin-4-yl]amino]methyl]benzenesulfonyl fluoride
CID 145421202
4-[amino-[(2-chlorophenyl)methyl]amino]-2-[difluoro(phenyl)methyl]-6-[3-(methyldisulfanyl)pyrrolidin-1-yl]pyrimidin-5-amine
CID 145421164
4-[amino-[(2-chlorophenyl)methyl]amino]-6-(3,3-difluoropyrrolidin-1-yl)-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-amine
CID 144802580
2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine
CID 80988122
1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758588
4-tert-butyl-6-[(2-chlorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
CID 66153350
5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-phenyltriazolo[4,5-d]pyrimidine
CID 121320487
tert-butyl-dimethyl-[[2-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]silane
CID 86690744

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine?
The IUPAC name of 4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine (CID 137382596) is 4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine?
The canonical SMILES for 4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine is Cn1nccc1-c1nc(C(C)(C)C)nc(N(N)Cc2ccccc2Cl)c1N.
What is the InChIKey of 4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine?
The InChIKey is BIJTVACMTBTHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7/c1-19(2,3)18-24-16(14-9-10-23-26(14)4)15(21)17(25-18)27(22)11-12-7-5-6-8-13(12)20/h5-10H,11,21-22H2,1-4H3.
What are the key properties of 4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine?
4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine has a molecular weight of 385.90 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[(2-chlorophenyl)methyl]amino]-2-tert-butyl-6-(2-methylpyrazol-3-yl)pyrimidin-5-amine is sourced from PubChem (CID 137382596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).