N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine

C13H22N4O — CID 114216347

IUPACN-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine
SMILESCNCc1cncnc1N(C)CC1CCCOC1
InChIInChI=1S/C13H22N4O/c1-14-6-12-7-15-10-16-13(12)17(2)8-11-4-3-5-18-9-11/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyYYQOIDCIFFZFFR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.06
Rot. Bonds5

About N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine

N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 114216347) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine
PubChem CID114216347
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine
SMILESCNCc1cncnc1N(C)CC1CCCOC1
InChIInChI=1S/C13H22N4O/c1-14-6-12-7-15-10-16-13(12)17(2)8-11-4-3-5-18-9-11/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyYYQOIDCIFFZFFR-UHFFFAOYSA-N
XLogP1.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 66318184
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63708110
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 75511399
N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 126785250
4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 63713648
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine
CID 114216274
5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 114851430
N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 63711395
5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80818393
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 63727442
5-iodo-4-[methyl(oxan-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 137015661
5-bromo-3-fluoro-N-methyl-N-[[(3S)-oxan-3-yl]methyl]pyridin-2-amine
CID 129413889

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine (CID 114216347) is N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine is CNCc1cncnc1N(C)CC1CCCOC1.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is YYQOIDCIFFZFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-14-6-12-7-15-10-16-13(12)17(2)8-11-4-3-5-18-9-11/h7,10-11,14H,3-6,8-9H2,1-2H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 114216347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).