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

C15H22BrN7 — CID 59758093

IUPAC5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C15H22BrN7/c1-23(2)7-3-6-17-15-18-9-11(16)14(20-15)19-13-8-12(21-22-13)10-4-5-10/h8-10H,3-7H2,1-2H3,(H3,17,18,19,20,21,22)
InChIKeyQEWXLASRORBCGI-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.95
Rot. Bonds8

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

5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine (PubChem CID 59758093) has the molecular formula C15H22BrN7 and a molecular weight of 380.29 g/mol. Its IUPAC name is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
PubChem CID59758093
Molecular FormulaC15H22BrN7
Molecular Weight380.29 g/mol
Exact Mass379.11
IUPAC Name5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C15H22BrN7/c1-23(2)7-3-6-17-15-18-9-11(16)14(20-15)19-13-8-12(21-22-13)10-4-5-10/h8-10H,3-7H2,1-2H3,(H3,17,18,19,20,21,22)
InChIKeyQEWXLASRORBCGI-UHFFFAOYSA-N
XLogP2.95
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 59758040
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 59757934
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-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 59757986
4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-[3-(diethylamino)propyl]benzamide
CID 11642224
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2,4-dibromophenyl)pyrimidine-2,4-diamine
CID 59758113
3-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-N-[3-(diethylamino)propyl]benzamide
CID 59757784
3-[4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-[3-(diethylamino)propyl]propanamide
CID 11720982
2-N-(3-aminophenyl)-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 11501911
5-bromo-2-N-(2-bromo-4-fluorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 59758133
tert-butyl N-[[4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]carbamate
CID 11569591
5-bromo-2-N-(3-chlorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 59757961

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine (CID 59758093) is 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine is CN(C)CCCNc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1.
What is the InChIKey of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The InChIKey is QEWXLASRORBCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN7/c1-23(2)7-3-6-17-15-18-9-11(16)14(20-15)19-13-8-12(21-22-13)10-4-5-10/h8-10H,3-7H2,1-2H3,(H3,17,18,19,20,21,22).
What are the key properties of 5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine has a molecular weight of 380.29 g/mol, XLogP of 2.95, 8 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-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59758093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).