N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine

C13H22N4O — CID 83185204

IUPACN-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(N2CCCOC(C)C2)nc1C
InChIInChI=1S/C13H22N4O/c1-10-9-17(5-4-6-18-10)13-15-8-12(7-14-3)11(2)16-13/h8,10,14H,4-7,9H2,1-3H3
InChIKeyHXZOUHGKAVUBDP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.12
Rot. Bonds3

About N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine

N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine (PubChem CID 83185204) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine
PubChem CID83185204
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(N2CCCOC(C)C2)nc1C
InChIInChI=1S/C13H22N4O/c1-10-9-17(5-4-6-18-10)13-15-8-12(7-14-3)11(2)16-13/h8,10,14H,4-7,9H2,1-3H3
InChIKeyHXZOUHGKAVUBDP-UHFFFAOYSA-N
XLogP1.12
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanol
CID 83184895
N-[[4-methyl-2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83185479
2-methyl-N-[[4-methyl-2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 83185230
N-methyl-1-[4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-5-yl]methanamine
CID 83185977
N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine
CID 83178916
N-methyl-1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine
CID 83179644
1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186326
N,N-dimethyl-1-[4-methyl-5-(methylaminomethyl)pyrimidin-2-yl]piperidin-4-amine
CID 83185173
1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83185473
1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83185655
1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189014
1-[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186471

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine (CID 83185204) is N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine is CNCc1cnc(N2CCCOC(C)C2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine?
The InChIKey is HXZOUHGKAVUBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-9-17(5-4-6-18-10)13-15-8-12(7-14-3)11(2)16-13/h8,10,14H,4-7,9H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine has a molecular weight of 250.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83185204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).