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

C13H18ClN3 — CID 115875632

IUPAC6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
SMILESClc1cc(NCCCC2CC2)nc(C2CC2)n1
InChIInChI=1S/C13H18ClN3/c14-11-8-12(15-7-1-2-9-3-4-9)17-13(16-11)10-5-6-10/h8-10H,1-7H2,(H,15,16,17)
InChIKeyBMNMSTZXFYCJRA-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.61
Rot. Bonds6

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

6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine (PubChem CID 115875632) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
PubChem CID115875632
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
SMILESClc1cc(NCCCC2CC2)nc(C2CC2)n1
InChIInChI=1S/C13H18ClN3/c14-11-8-12(15-7-1-2-9-3-4-9)17-13(16-11)10-5-6-10/h8-10H,1-7H2,(H,15,16,17)
InChIKeyBMNMSTZXFYCJRA-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399
5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide
CID 114162665
tert-butyl N-[3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propyl]carbamate
CID 103880075
6-bromo-N-(3-cyclopentylpropyl)-2-cyclopropylpyrimidin-4-amine
CID 114137347
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 106013954
6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine
CID 133419292
6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
CID 80951077
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine (CID 115875632) is 6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine is Clc1cc(NCCCC2CC2)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine?
The InChIKey is BMNMSTZXFYCJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c14-11-8-12(15-7-1-2-9-3-4-9)17-13(16-11)10-5-6-10/h8-10H,1-7H2,(H,15,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine has a molecular weight of 251.76 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 115875632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).