2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine

C10H12ClN5 — CID 62341885

IUPAC2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cn1ccnc1)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H12ClN5/c1-8(6-16-5-4-12-7-16)14-9-2-3-13-10(11)15-9/h2-5,7-8H,6H2,1H3,(H,13,14,15)
InChIKeySTZATWJYBZJICA-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.83
Rot. Bonds4

About 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine

2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine (PubChem CID 62341885) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
PubChem CID62341885
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cn1ccnc1)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H12ClN5/c1-8(6-16-5-4-12-7-16)14-9-2-3-13-10(11)15-9/h2-5,7-8H,6H2,1H3,(H,13,14,15)
InChIKeySTZATWJYBZJICA-UHFFFAOYSA-N
XLogP1.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 82239276
5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 79076506
6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024
6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80953581
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine
CID 80939216
3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750662
4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 62859672
5-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2,5-diamine
CID 61479602
1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine
CID 62138049
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
CID 106875615
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine (CID 62341885) is 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine is CC(Cn1ccnc1)Nc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is STZATWJYBZJICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-8(6-16-5-4-12-7-16)14-9-2-3-13-10(11)15-9/h2-5,7-8H,6H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine?
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 237.69 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 62341885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).