5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine

C11H14BrN5 — CID 114554374

IUPAC5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccnn2C)ncc1Br
InChIInChI=1S/C11H14BrN5/c1-3-5-13-10-8(12)7-14-11(16-10)9-4-6-15-17(9)2/h4,6-7H,3,5H2,1-2H3,(H,13,14,16)
InChIKeyKMOXMBNDKHUHPX-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.46
Rot. Bonds4

About 5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine

5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine (PubChem CID 114554374) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
PubChem CID114554374
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccnn2C)ncc1Br
InChIInChI=1S/C11H14BrN5/c1-3-5-13-10-8(12)7-14-11(16-10)9-4-6-15-17(9)2/h4,6-7H,3,5H2,1-2H3,(H,13,14,16)
InChIKeyKMOXMBNDKHUHPX-UHFFFAOYSA-N
XLogP2.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 66301653
5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine
CID 115525347
5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine
CID 66297613
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66303289
5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine
CID 114556697
5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66295682
5-bromo-2-(2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 66301652
2-(2-methylpyrazol-3-yl)-N-propylpyridin-4-amine
CID 102824790
5-bromo-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80776953
5,6-dimethyl-N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557302
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine (CID 114554374) is 5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccnn2C)ncc1Br.
What is the InChIKey of 5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine?
The InChIKey is KMOXMBNDKHUHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-3-5-13-10-8(12)7-14-11(16-10)9-4-6-15-17(9)2/h4,6-7H,3,5H2,1-2H3,(H,13,14,16).
What are the key properties of 5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine?
5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine has a molecular weight of 296.17 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 114554374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).