N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine

C13H23N3O — CID 83189734

IUPACN-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OC(C)CC(C)C)nc1C
InChIInChI=1S/C13H23N3O/c1-9(2)6-10(3)17-13-15-8-12(7-14-5)11(4)16-13/h8-10,14H,6-7H2,1-5H3
InChIKeyYGSMBDLTOUMIPD-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.32
Rot. Bonds6

About N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine

N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine (PubChem CID 83189734) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine
PubChem CID83189734
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OC(C)CC(C)C)nc1C
InChIInChI=1S/C13H23N3O/c1-9(2)6-10(3)17-13-15-8-12(7-14-5)11(4)16-13/h8-10,14H,6-7H2,1-5H3
InChIKeyYGSMBDLTOUMIPD-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine
CID 83188748
N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine
CID 83189501
N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83188930
1-(2-cyclopentyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189730
1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83185420
1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189072
1-[2-(2-cyclopropylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 106205327
1-(2-cyclohexyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189189
2-(4-methylpentan-2-yloxy)pyrimidin-5-amine
CID 61147396
1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 106205527
N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine
CID 83188779
N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
CID 83188969

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine (CID 83189734) is N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine is CNCc1cnc(OC(C)CC(C)C)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine?
The InChIKey is YGSMBDLTOUMIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)6-10(3)17-13-15-8-12(7-14-5)11(4)16-13/h8-10,14H,6-7H2,1-5H3.
What are the key properties of N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).