5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C17H16BrClN6 — CID 24949248

IUPAC5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESClc1ccccc1CNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C17H16BrClN6/c18-12-9-21-17(20-8-11-3-1-2-4-13(11)19)23-16(12)22-15-7-14(24-25-15)10-5-6-10/h1-4,7,9-10H,5-6,8H2,(H3,20,21,22,23,24,25)
InChIKeyPGFQSOQKZDCUIL-UHFFFAOYSA-N
MW419.71 g/mol
LogP4.85
Rot. Bonds6

About 5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 24949248) has the molecular formula C17H16BrClN6 and a molecular weight of 419.71 g/mol. Its IUPAC name is 5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID24949248
Molecular FormulaC17H16BrClN6
Molecular Weight419.71 g/mol
Exact Mass418.03
IUPAC Name5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESClc1ccccc1CNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C17H16BrClN6/c18-12-9-21-17(20-8-11-3-1-2-4-13(11)19)23-16(12)22-15-7-14(24-25-15)10-5-6-10/h1-4,7,9-10H,5-6,8H2,(H3,20,21,22,23,24,25)
InChIKeyPGFQSOQKZDCUIL-UHFFFAOYSA-N
XLogP4.85
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.71
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-benzyl-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949247
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 24949398
5-bromo-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-N2-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 11212221
5-bromo-2-N-[(4-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949091
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 24949399
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine
CID 24949400
5-Bromo-N~4~-(3-Methyl-1h-Pyrazol-5-Yl)-N~2~-[2-(Pyridin-3-Yl)ethyl]pyrimidine-2,4-Diamine
CID 56973548
(S)-5-Chloro-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(1-(5-fluoropyridin-2-yl)ethyl)pyrimidine-2,4-diamine
CID 16097528
[4-({4-[(5-Cyclopropyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl}amino)phenyl]acetonitrile
CID 45111332
6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168269148
p38 MAP Kinase Inhibitor V
CID 9884921
3-bromo-5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 9909749

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 24949248) is 5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Clc1ccccc1CNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1.
What is the InChIKey of 5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is PGFQSOQKZDCUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN6/c18-12-9-21-17(20-8-11-3-1-2-4-13(11)19)23-16(12)22-15-7-14(24-25-15)10-5-6-10/h1-4,7,9-10H,5-6,8H2,(H3,20,21,22,23,24,25).
What are the key properties of 5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 419.71 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-[(2-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 24949248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).