6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine

C13H22ClN3O — CID 133381990

IUPAC6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCCOC(C)C)n1
InChIInChI=1S/C13H22ClN3O/c1-5-11-16-12(14)10(4)13(17-11)15-7-6-8-18-9(2)3/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyMCASDYRFAXUGDQ-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.23
Rot. Bonds7

About 6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine (PubChem CID 133381990) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
PubChem CID133381990
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCCOC(C)C)n1
InChIInChI=1S/C13H22ClN3O/c1-5-11-16-12(14)10(4)13(17-11)15-7-6-8-18-9(2)3/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyMCASDYRFAXUGDQ-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944
6-chloro-2-ethyl-5-nitro-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 82458946
6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
CID 103724872
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 79238156
6-chloro-2-ethyl-5-methyl-N-(3-methylsulfinylbutyl)pyrimidin-4-amine
CID 115715788
6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80972684
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 79556195
6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79557316
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341566
6-chloro-2-ethyl-N-(4-methoxybutan-2-yl)-5-methylpyrimidin-4-amine
CID 80978229
tert-butyl N-[2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 115674145

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine (CID 133381990) is 6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCCCOC(C)C)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
The InChIKey is MCASDYRFAXUGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-5-11-16-12(14)10(4)13(17-11)15-7-6-8-18-9(2)3/h9H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine has a molecular weight of 271.79 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 133381990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).