4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine

C10H12BrN5 — CID 80853897

IUPAC4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-n2cc(Br)cn2)n1
InChIInChI=1S/C10H12BrN5/c1-2-4-12-10-13-5-3-9(15-10)16-7-8(11)6-14-16/h3,5-7H,2,4H2,1H3,(H,12,13,15)
InChIKeyAROYMSRFZOAQKG-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.25
Rot. Bonds4

About 4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine

4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 80853897) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine
PubChem CID80853897
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-n2cc(Br)cn2)n1
InChIInChI=1S/C10H12BrN5/c1-2-4-12-10-13-5-3-9(15-10)16-7-8(11)6-14-16/h3,5-7H,2,4H2,1H3,(H,12,13,15)
InChIKeyAROYMSRFZOAQKG-UHFFFAOYSA-N
XLogP2.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80853632
4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine
CID 80853083
4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine
CID 64831077
N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868324
N-[[6-(4-bromopyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55059708
4-(4,5-dimethylimidazol-1-yl)-N-propylpyrimidin-2-amine
CID 80856704
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
CID 166601436
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757346
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 80805920
4-[4-(ethylamino)pyrazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151837932
4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80784615

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine (CID 80853897) is 4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine is CCCNc1nccc(-n2cc(Br)cn2)n1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is AROYMSRFZOAQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-2-4-12-10-13-5-3-9(15-10)16-7-8(11)6-14-16/h3,5-7H,2,4H2,1H3,(H,12,13,15).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine?
4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 282.14 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80853897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).