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

C15H16BrN7S — CID 59758010

IUPAC5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ncc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C15H16BrN7S/c1-8-17-5-10(24-8)6-18-15-19-7-11(16)14(21-15)20-13-4-12(22-23-13)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3,(H3,18,19,20,21,22,23)
InChIKeyULGSQWCTRZIWSZ-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.96
Rot. Bonds6

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

5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 59758010) has the molecular formula C15H16BrN7S and a molecular weight of 406.31 g/mol. Its IUPAC name is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID59758010
Molecular FormulaC15H16BrN7S
Molecular Weight406.31 g/mol
Exact Mass405.04
IUPAC Name5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ncc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C15H16BrN7S/c1-8-17-5-10(24-8)6-18-15-19-7-11(16)14(21-15)20-13-4-12(22-23-13)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3,(H3,18,19,20,21,22,23)
InChIKeyULGSQWCTRZIWSZ-UHFFFAOYSA-N
XLogP3.96
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-cyclopropyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56952795
5-bromo-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidine-2,4-diamine
CID 60154332
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 59757919
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 59757972
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 59758004
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 59758020
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 59758040
5-bromo-2-N,4-N-bis(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 59758042
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 59758093
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 59758105
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 59757910
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrimidine-2,4-diamine
CID 68899572

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 59758010) is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1ncc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)s1.
What is the InChIKey of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ULGSQWCTRZIWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN7S/c1-8-17-5-10(24-8)6-18-15-19-7-11(16)14(21-15)20-13-4-12(22-23-13)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3,(H3,18,19,20,21,22,23).
What are the key properties of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 406.31 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59758010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).