6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine

C12H12ClN5 — CID 106832785

IUPAC6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCc2cccnn2)nc(C2CC2)n1
InChIInChI=1S/C12H12ClN5/c13-10-6-11(17-12(16-10)8-3-4-8)14-7-9-2-1-5-15-18-9/h1-2,5-6,8H,3-4,7H2,(H,14,16,17)
InChIKeyZJSGFZSCEKEBIK-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.41
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 106832785) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
PubChem CID106832785
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC Name6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCc2cccnn2)nc(C2CC2)n1
InChIInChI=1S/C12H12ClN5/c13-10-6-11(17-12(16-10)8-3-4-8)14-7-9-2-1-5-15-18-9/h1-2,5-6,8H,3-4,7H2,(H,14,16,17)
InChIKeyZJSGFZSCEKEBIK-UHFFFAOYSA-N
XLogP2.41
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463214
6-chloro-2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80953226
6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
CID 133432685
6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 103879876
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
CID 80951077
6-chloro-2-cyclopropyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80953674
6-chloro-2-cyclopropyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 103880239
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine (CID 106832785) is 6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine is Clc1cc(NCc2cccnn2)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZJSGFZSCEKEBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5/c13-10-6-11(17-12(16-10)8-3-4-8)14-7-9-2-1-5-15-18-9/h1-2,5-6,8H,3-4,7H2,(H,14,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 261.72 g/mol, XLogP of 2.41, 4 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-(pyridazin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106832785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).