6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine

C13H20ClN3 — CID 80939229

IUPAC6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(C)CC2CCC2)n1
InChIInChI=1S/C13H20ClN3/c1-3-5-12-15-11(14)8-13(16-12)17(2)9-10-6-4-7-10/h8,10H,3-7,9H2,1-2H3
InChIKeyJTBGPIVZNDIOLV-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.32
Rot. Bonds5

About 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine

6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80939229) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80939229
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(C)CC2CCC2)n1
InChIInChI=1S/C13H20ClN3/c1-3-5-12-15-11(14)8-13(16-12)17(2)9-10-6-4-7-10/h8,10H,3-7,9H2,1-2H3
InChIKeyJTBGPIVZNDIOLV-UHFFFAOYSA-N
XLogP3.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80945445
6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938173
6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80940885
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546756
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80951273
6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80936193
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767719
6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine
CID 62856781
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
6-N-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80943022
2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80938390
6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63235310

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine (CID 80939229) is 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(N(C)CC2CCC2)n1.
What is the InChIKey of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is JTBGPIVZNDIOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-3-5-12-15-11(14)8-13(16-12)17(2)9-10-6-4-7-10/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80939229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).