2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine

C11H17N3O — CID 103887825

IUPAC2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine
SMILESCC1CC(NCc2cncnc2)CCO1
InChIInChI=1S/C11H17N3O/c1-9-4-11(2-3-15-9)14-7-10-5-12-8-13-6-10/h5-6,8-9,11,14H,2-4,7H2,1H3
InChIKeyQEPUSHXDMWVMJC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.13
Rot. Bonds3

About 2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine

2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine (PubChem CID 103887825) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine
PubChem CID103887825
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine
SMILESCC1CC(NCc2cncnc2)CCO1
InChIInChI=1S/C11H17N3O/c1-9-4-11(2-3-15-9)14-7-10-5-12-8-13-6-10/h5-6,8-9,11,14H,2-4,7H2,1H3
InChIKeyQEPUSHXDMWVMJC-UHFFFAOYSA-N
XLogP1.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol
CID 130735711
N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine
CID 103887979
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyloxan-4-amine
CID 103911030
(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711
N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
CID 64681355
4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 62758802
N,N-diethyl-5-[[(2-methyloxan-4-yl)amino]methyl]-1,3-thiazol-2-amine
CID 103887950
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 80682729
2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine
CID 103887972
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxan-4-amine
CID 103910381
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
CID 103887861
N-[(3-ethyl-2-pyridinyl)methyl]-2-methyloxan-4-amine
CID 82731940

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine?
The IUPAC name of 2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine (CID 103887825) is 2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine.
What is the SMILES notation for 2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine?
The canonical SMILES for 2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine is CC1CC(NCc2cncnc2)CCO1.
What is the InChIKey of 2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine?
The InChIKey is QEPUSHXDMWVMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-4-11(2-3-15-9)14-7-10-5-12-8-13-6-10/h5-6,8-9,11,14H,2-4,7H2,1H3.
What are the key properties of 2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine?
2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine has a molecular weight of 207.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine is sourced from PubChem (CID 103887825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).