6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine

C13H20ClN3O — CID 80940573

IUPAC6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NC(C)C2CCCO2)n1
InChIInChI=1S/C13H20ClN3O/c1-3-5-12-16-11(14)8-13(17-12)15-9(2)10-6-4-7-18-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyKTHSUMOLUSKOLM-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.06
Rot. Bonds5

About 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine

6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine (PubChem CID 80940573) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
PubChem CID80940573
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NC(C)C2CCCO2)n1
InChIInChI=1S/C13H20ClN3O/c1-3-5-12-16-11(14)8-13(17-12)15-9(2)10-6-4-7-18-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyKTHSUMOLUSKOLM-UHFFFAOYSA-N
XLogP3.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80933538
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789
6-hydrazinyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 80995507
2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80780884
3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine
CID 82237452
4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80781938
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80940901
6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
CID 80940255
N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82463293
6-N-methyl-2-methylsulfanyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80782113
4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770784

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine (CID 80940573) is 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(NC(C)C2CCCO2)n1.
What is the InChIKey of 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine?
The InChIKey is KTHSUMOLUSKOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-5-12-16-11(14)8-13(17-12)15-9(2)10-6-4-7-18-10/h8-10H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine?
6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80940573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).