6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine

C12H20N4O — CID 115265570

IUPAC6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCC2CCOCC2)ncn1
InChIInChI=1S/C12H20N4O/c1-13-11-8-12(16-9-15-11)14-5-2-10-3-6-17-7-4-10/h8-10H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyBUENIZLDBRALOZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.75
Rot. Bonds5

About 6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine

6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 115265570) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID115265570
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCC2CCOCC2)ncn1
InChIInChI=1S/C12H20N4O/c1-13-11-8-12(16-9-15-11)14-5-2-10-3-6-17-7-4-10/h8-10H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyBUENIZLDBRALOZ-UHFFFAOYSA-N
XLogP1.75
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
CID 115265595
4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
CID 115263965
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653
2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264917
2-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264871
6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
CID 115143093
N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874
4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80847025
4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine
CID 115264162
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80846727
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
CID 115148665

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine (CID 115265570) is 6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine is CNc1cc(NCCC2CCOCC2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is BUENIZLDBRALOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-13-11-8-12(16-9-15-11)14-5-2-10-3-6-17-7-4-10/h8-10H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 115265570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).