5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine

C16H19BrN6O — CID 68886918

IUPAC5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)c1cc(Nc2nc(NCc3ccco3)ncc2Br)n[nH]1
InChIInChI=1S/C16H19BrN6O/c1-16(2,3)12-7-13(23-22-12)20-14-11(17)9-19-15(21-14)18-8-10-5-4-6-24-10/h4-7,9H,8H2,1-3H3,(H3,18,19,20,21,22,23)
InChIKeyJTQBTSLZGPHTDQ-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.21
Rot. Bonds5

About 5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine

5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 68886918) has the molecular formula C16H19BrN6O and a molecular weight of 391.27 g/mol. Its IUPAC name is 5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID68886918
Molecular FormulaC16H19BrN6O
Molecular Weight391.27 g/mol
Exact Mass390.08
IUPAC Name5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCC(C)(C)c1cc(Nc2nc(NCc3ccco3)ncc2Br)n[nH]1
InChIInChI=1S/C16H19BrN6O/c1-16(2,3)12-7-13(23-22-12)20-14-11(17)9-19-15(21-14)18-8-10-5-4-6-24-10/h4-7,9H,8H2,1-3H3,(H3,18,19,20,21,22,23)
InChIKeyJTQBTSLZGPHTDQ-UHFFFAOYSA-N
XLogP4.21
TPSA91.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine 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

5-bromo-2-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80766356
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloropyrimidin-4-amine
CID 87338222
4-tert-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxylic acid
CID 91915936
4-[[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]methyl]phenol
CID 143258960
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 59758040
5-bromo-N-(furan-2-ylmethyl)pyridin-2-amine
CID 28541636
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 59757934
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
CID 87338226
disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate
CID 140677688
5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1-pyridin-3-ylpropyl)pyrimidine-2,4-diamine
CID 68603118
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine (CID 68886918) is 5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is CC(C)(C)c1cc(Nc2nc(NCc3ccco3)ncc2Br)n[nH]1.
What is the InChIKey of 5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is JTQBTSLZGPHTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN6O/c1-16(2,3)12-7-13(23-22-12)20-14-11(17)9-19-15(21-14)18-8-10-5-4-6-24-10/h4-7,9H,8H2,1-3H3,(H3,18,19,20,21,22,23).
What are the key properties of 5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine?
5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 391.27 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 68886918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).