N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine

C14H23N3O — CID 63739311

IUPACN-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C2CCCOC2)n1
InChIInChI=1S/C14H23N3O/c1-3-6-12-9-13(15-4-2)17-14(16-12)11-7-5-8-18-10-11/h9,11H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyLIPCOXSDHXWXLT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.75
Rot. Bonds5

About N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine

N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine (PubChem CID 63739311) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine
PubChem CID63739311
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C2CCCOC2)n1
InChIInChI=1S/C14H23N3O/c1-3-6-12-9-13(15-4-2)17-14(16-12)11-7-5-8-18-10-11/h9,11H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyLIPCOXSDHXWXLT-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80609287
N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
CID 65328938
N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine
CID 65405998
2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80609911
N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65333931
N-methyl-2-(oxan-4-yl)-6-propylpyrimidin-4-amine
CID 62385584
2-methyl-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65333979
2-cycloheptyl-N-methyl-6-propylpyrimidin-4-amine
CID 65399592
N-methyl-1-[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methanamine
CID 65333930
N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66305719
5-bromo-N-ethyl-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66307264
2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine (CID 63739311) is N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine is CCCc1cc(NCC)nc(C2CCCOC2)n1.
What is the InChIKey of N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine?
The InChIKey is LIPCOXSDHXWXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-6-12-9-13(15-4-2)17-14(16-12)11-7-5-8-18-10-11/h9,11H,3-8,10H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine?
N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 63739311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).