1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine

C11H17N3O — CID 63712207

IUPAC1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine
SMILESc1cnc(CNCC2CCOCC2)nc1
InChIInChI=1S/C11H17N3O/c1-4-13-11(14-5-1)9-12-8-10-2-6-15-7-3-10/h1,4-5,10,12H,2-3,6-9H2
InChIKeyIUSUJKLZUOVVNQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.99
Rot. Bonds4

About 1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine

1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine (PubChem CID 63712207) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine
PubChem CID63712207
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine
SMILESc1cnc(CNCC2CCOCC2)nc1
InChIInChI=1S/C11H17N3O/c1-4-13-11(14-5-1)9-12-8-10-2-6-15-7-3-10/h1,4-5,10,12H,2-3,6-9H2
InChIKeyIUSUJKLZUOVVNQ-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(Cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride
CID 45265071
N-(oxan-4-yl)pyrimidin-2-amine
CID 43610313
4-[(3R)-3-Aminopyrrolidin-1-yl]-N-(tetrahydro-2H-pyran-4-yl)pyrimidin-2-amine
CID 58227346
3-(Pyrimidin-2-yl)oxolan-3-amine dihydrochloride
CID 156564930
N~2~-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-N~4~-ethylpyrimidine-2,4-diamine
CID 50980405
1-(Oxolan-3-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51082770
N-(oxolan-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 51084923
N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine
CID 71996255
2-(tetrahydro-2H-pyran-4-yl)pyrimidin-5-amine
CID 62384450
{1-[(Pyrimidin-2-yl)methyl]piperidin-4-yl}methanol
CID 62699790
4-(Pyrimidin-2-yl)oxan-4-amine
CID 126980358
2-(Piperidin-4-yl)pyrimidine dihydrochloride
CID 132300833

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine?
The IUPAC name of 1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine (CID 63712207) is 1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine is c1cnc(CNCC2CCOCC2)nc1.
What is the InChIKey of 1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine?
The InChIKey is IUSUJKLZUOVVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-13-11(14-5-1)9-12-8-10-2-6-15-7-3-10/h1,4-5,10,12H,2-3,6-9H2.
What are the key properties of 1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine?
1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine has a molecular weight of 207.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-(pyrimidin-2-ylmethyl)methanamine is sourced from PubChem (CID 63712207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).