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

C13H22N4O — CID 115265595

IUPAC4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CCC2CCOCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-14-12-9-13(16-10-15-12)17(2)6-3-11-4-7-18-8-5-11/h9-11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyMKBUGQYDEBBYRT-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.77
Rot. Bonds5

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

4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 115265595) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID115265595
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CCC2CCOCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-14-12-9-13(16-10-15-12)17(2)6-3-11-4-7-18-8-5-11/h9-11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyMKBUGQYDEBBYRT-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[methyl(oxan-4-ylmethyl)amino]pyrimidin-4-yl]cyanamide
CID 115264692
6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
CID 115265570
6-(3-aminocyclobutyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154901907
4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80825254
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine
CID 99703962
2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
CID 113367846
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80798901
2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779288
4-N,6-N-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 115265586

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine (CID 115265595) is 4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine is CNc1cc(N(C)CCC2CCOCC2)ncn1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is MKBUGQYDEBBYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-14-12-9-13(16-10-15-12)17(2)6-3-11-4-7-18-8-5-11/h9-11H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 115265595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).