N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine

C11H17N3O — CID 65334440

IUPACN-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)C1CCOCC1
InChIInChI=1S/C11H17N3O/c1-12-11(9-2-4-15-5-3-9)10-6-13-8-14-7-10/h6-9,11-12H,2-5H2,1H3
InChIKeyCNSBGEFJPVAHLZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.16
Rot. Bonds3

About N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine

N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine (PubChem CID 65334440) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine
PubChem CID65334440
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)C1CCOCC1
InChIInChI=1S/C11H17N3O/c1-12-11(9-2-4-15-5-3-9)10-6-13-8-14-7-10/h6-9,11-12H,2-5H2,1H3
InChIKeyCNSBGEFJPVAHLZ-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907400
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 65412087
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115336731
1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131203
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79703603
1-(3-iodophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115855997
N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923393
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131204
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 115855875
N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-(oxan-4-yl)methanamine
CID 55131785
1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine?
The IUPAC name of N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine (CID 65334440) is N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)C1CCOCC1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine?
The InChIKey is CNSBGEFJPVAHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-12-11(9-2-4-15-5-3-9)10-6-13-8-14-7-10/h6-9,11-12H,2-5H2,1H3.
What are the key properties of N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine?
N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine has a molecular weight of 207.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 65334440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).