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

C13H16ClN5 — CID 80953581

IUPAC6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cn1ccnc1)Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H16ClN5/c1-9(7-19-5-4-15-8-19)16-12-6-11(14)17-13(18-12)10-2-3-10/h4-6,8-10H,2-3,7H2,1H3,(H,16,17,18)
InChIKeyJQFBCCDRZFOTBM-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.70
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine (PubChem CID 80953581) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
PubChem CID80953581
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cn1ccnc1)Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H16ClN5/c1-9(7-19-5-4-15-8-19)16-12-6-11(14)17-13(18-12)10-2-3-10/h4-6,8-10H,2-3,7H2,1H3,(H,16,17,18)
InChIKeyJQFBCCDRZFOTBM-UHFFFAOYSA-N
XLogP2.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine
CID 80939216
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 62341885
6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine
CID 80950895
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 82239276
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750662
6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80897715
6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 133421183
2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid
CID 113378590
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
6-chloro-2-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 80953868

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine (CID 80953581) is 6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine is CC(Cn1ccnc1)Nc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is JQFBCCDRZFOTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-9(7-19-5-4-15-8-19)16-12-6-11(14)17-13(18-12)10-2-3-10/h4-6,8-10H,2-3,7H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80953581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).