4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine

C11H14BrN5 — CID 80853632

IUPAC4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(-n2cc(Br)cn2)n1
InChIInChI=1S/C11H14BrN5/c1-3-4-13-11-14-5-8(2)10(16-11)17-7-9(12)6-15-17/h5-7H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyUSPNUCNTVFXIKE-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.56
Rot. Bonds4

About 4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine

4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine (PubChem CID 80853632) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine
PubChem CID80853632
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(-n2cc(Br)cn2)n1
InChIInChI=1S/C11H14BrN5/c1-3-4-13-11-14-5-8(2)10(16-11)17-7-9(12)6-15-17/h5-7H,3-4H2,1-2H3,(H,13,14,16)
InChIKeyUSPNUCNTVFXIKE-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine
CID 80853897
4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine
CID 80853083
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
4-(2-ethylimidazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80857358
4-(3-cyclopropylpyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80857494
5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine
CID 80823681
5-methyl-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine
CID 102746687
5-methyl-N-propyl-4-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-2-amine
CID 114541868
5-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrimidin-2-amine
CID 80804882
5-methyl-4-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80835791
4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80854084
4-(4-ethyl-4-methylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80830988

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine (CID 80853632) is 4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(-n2cc(Br)cn2)n1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine?
The InChIKey is USPNUCNTVFXIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-3-4-13-11-14-5-8(2)10(16-11)17-7-9(12)6-15-17/h5-7H,3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine?
4-(4-bromopyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine has a molecular weight of 296.17 g/mol, XLogP of 2.56, 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)-5-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80853632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).