N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine

C11H17N3O — CID 61016275

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1nccc(CNCC2CCOC2)n1
InChIInChI=1S/C11H17N3O/c1-9-13-4-2-11(14-9)7-12-6-10-3-5-15-8-10/h2,4,10,12H,3,5-8H2,1H3
InChIKeyGARMKMJFLFMDEI-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.91
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine

N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 61016275) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID61016275
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCc1nccc(CNCC2CCOC2)n1
InChIInChI=1S/C11H17N3O/c1-9-13-4-2-11(14-9)7-12-6-10-3-5-15-8-10/h2,4,10,12H,3,5-8H2,1H3
InChIKeyGARMKMJFLFMDEI-UHFFFAOYSA-N
XLogP0.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine (CID 61016275) is N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine is Cc1nccc(CNCC2CCOC2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is GARMKMJFLFMDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-13-4-2-11(14-9)7-12-6-10-3-5-15-8-10/h2,4,10,12H,3,5-8H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 207.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 61016275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).