6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine

C15H20ClN3 — CID 80951077

IUPAC6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
SMILESClc1cc(NCC(C2CC2)C2CC2)nc(C2CC2)n1
InChIInChI=1S/C15H20ClN3/c16-13-7-14(19-15(18-13)11-5-6-11)17-8-12(9-1-2-9)10-3-4-10/h7,9-12H,1-6,8H2,(H,17,18,19)
InChIKeyPTMFQRNZEQCLKI-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.86
Rot. Bonds6

About 6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine (PubChem CID 80951077) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
PubChem CID80951077
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
SMILESClc1cc(NCC(C2CC2)C2CC2)nc(C2CC2)n1
InChIInChI=1S/C15H20ClN3/c16-13-7-14(19-15(18-13)11-5-6-11)17-8-12(9-1-2-9)10-3-4-10/h7,9-12H,1-6,8H2,(H,17,18,19)
InChIKeyPTMFQRNZEQCLKI-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847
3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80951466
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009409
6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 104952861
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-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114406
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine (CID 80951077) is 6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine is Clc1cc(NCC(C2CC2)C2CC2)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine?
The InChIKey is PTMFQRNZEQCLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c16-13-7-14(19-15(18-13)11-5-6-11)17-8-12(9-1-2-9)10-3-4-10/h7,9-12H,1-6,8H2,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine has a molecular weight of 277.80 g/mol, XLogP of 3.86, 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-(2,2-dicyclopropylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80951077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).