5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine

C13H22N4O — CID 114216043

IUPAC5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCCNCc1cncnc1N(C)C1CCOCC1
InChIInChI=1S/C13H22N4O/c1-3-14-8-11-9-15-10-16-13(11)17(2)12-4-6-18-7-5-12/h9-10,12,14H,3-8H2,1-2H3
InChIKeyHENGYZHBKRBGRD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.20
Rot. Bonds5

About 5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine

5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 114216043) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
PubChem CID114216043
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCCNCc1cncnc1N(C)C1CCOCC1
InChIInChI=1S/C13H22N4O/c1-3-14-8-11-9-15-10-16-13(11)17(2)12-4-6-18-7-5-12/h9-10,12,14H,3-8H2,1-2H3
InChIKeyHENGYZHBKRBGRD-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 114215986
4-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyridin-3-amine
CID 105073064
5-(ethylaminomethyl)-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 114216039
[4-[cyclobutyl(methyl)amino]pyrimidin-5-yl]methanol
CID 126974271
4-[methyl(oxan-4-yl)amino]pyrimidine-5-carboximidamide
CID 112755752
4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
CID 80789465
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine
CID 114216274
5-(ethylaminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 114216442
5-iodo-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82748952
5-ethyl-6-hydrazinyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80906429
N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287100

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine (CID 114216043) is 5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine is CCNCc1cncnc1N(C)C1CCOCC1.
What is the InChIKey of 5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is HENGYZHBKRBGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-14-8-11-9-15-10-16-13(11)17(2)12-4-6-18-7-5-12/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine?
5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 114216043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).