N-(oxan-3-yl)-4-propoxypyrimidin-2-amine

C12H19N3O2 — CID 112637674

IUPACN-(oxan-3-yl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NC2CCCOC2)n1
InChIInChI=1S/C12H19N3O2/c1-2-7-17-11-5-6-13-12(15-11)14-10-4-3-8-16-9-10/h5-6,10H,2-4,7-9H2,1H3,(H,13,14,15)
InChIKeyRZSGMMKOSSLHSH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.86
Rot. Bonds5

About N-(oxan-3-yl)-4-propoxypyrimidin-2-amine

N-(oxan-3-yl)-4-propoxypyrimidin-2-amine (PubChem CID 112637674) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(oxan-3-yl)-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxan-3-yl)-4-propoxypyrimidin-2-amine
PubChem CID112637674
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(oxan-3-yl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NC2CCCOC2)n1
InChIInChI=1S/C12H19N3O2/c1-2-7-17-11-5-6-13-12(15-11)14-10-4-3-8-16-9-10/h5-6,10H,2-4,7-9H2,1H3,(H,13,14,15)
InChIKeyRZSGMMKOSSLHSH-UHFFFAOYSA-N
XLogP1.86
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
CID 112637135
4-bromo-N-(oxan-3-yl)pyrimidin-2-amine
CID 115048116
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine
CID 112638202
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine
CID 112638177
2-(oxan-3-ylamino)pyrimidine-4-carbonitrile
CID 107544503
1-cyclopentyl-N-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 106738126
N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine
CID 128559210
N-(3-cyclopentylpropyl)-4-propoxypyrimidin-2-amine
CID 106012839
N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine
CID 112639257
4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine
CID 112637934

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-4-propoxypyrimidin-2-amine?
The IUPAC name of N-(oxan-3-yl)-4-propoxypyrimidin-2-amine (CID 112637674) is N-(oxan-3-yl)-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(oxan-3-yl)-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-(oxan-3-yl)-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NC2CCCOC2)n1.
What is the InChIKey of N-(oxan-3-yl)-4-propoxypyrimidin-2-amine?
The InChIKey is RZSGMMKOSSLHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-7-17-11-5-6-13-12(15-11)14-10-4-3-8-16-9-10/h5-6,10H,2-4,7-9H2,1H3,(H,13,14,15).
What are the key properties of N-(oxan-3-yl)-4-propoxypyrimidin-2-amine?
N-(oxan-3-yl)-4-propoxypyrimidin-2-amine has a molecular weight of 237.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 112637674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).