5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane

C13H24N4O — CID 143970008

IUPAC5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane
SMILESCC.Cc1nc(N)nc(NC2CCOCC2)c1C
InChIInChI=1S/C11H18N4O.C2H6/c1-7-8(2)13-11(12)15-10(7)14-9-3-5-16-6-4-9;1-2/h9H,3-6H2,1-2H3,(H3,12,13,14,15);1-2H3
InChIKeyMXWBFCQQULLNDP-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.29
Rot. Bonds2

About 5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane

5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane (PubChem CID 143970008) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane.

Molecular Properties

Compound Name5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane
PubChem CID143970008
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane
SMILESCC.Cc1nc(N)nc(NC2CCOCC2)c1C
InChIInChI=1S/C11H18N4O.C2H6/c1-7-8(2)13-11(12)15-10(7)14-9-3-5-16-6-4-9;1-2/h9H,3-6H2,1-2H3,(H3,12,13,14,15);1-2H3
InChIKeyMXWBFCQQULLNDP-UHFFFAOYSA-N
XLogP2.29
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
5-Ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine
CID 879218
4-N-butyl-6-methyl-5-(3-morpholin-4-ylprop-1-ynyl)pyrimidine-2,4-diamine
CID 135271040
Pyrimidine, 2-amino-4-(gamma-diethylaminopropylamino)-5,6-dimethyl-
CID 114146
(1-{3-[(5,6-Dimethylpyrimidin-4-YL)amino]propyl}piperidin-2-YL)methanol
CID 72906961
4-N-cyclopropyl-7-(oxan-4-yl)-2-N-propan-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-2,4-diamine
CID 97404664
2-methyl-7-(oxan-4-yl)-N-propan-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97515677
4-N,4-N,6-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 145984934
Ethyl 4-{[2-(dimethylamino)-5,6-dimethylpyrimidin-4-YL]amino}piperidine-1-carboxylate
CID 50971536
2,6-dimethyl-N-[3-(oxan-4-yloxy)propyl]pyrimidin-4-amine
CID 71996247
5-ethyl-6-methyl-N~4~-{3-[(1-methylpiperidin-4-yl)oxy]propyl}pyrimidine-2,4-diamine
CID 72858172
N-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}-2,5,6-trimethylpyrimidin-4-amine
CID 72902906

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane?
The IUPAC name of 5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane (CID 143970008) is 5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane.
What is the SMILES notation for 5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane?
The canonical SMILES for 5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane is CC.Cc1nc(N)nc(NC2CCOCC2)c1C.
What is the InChIKey of 5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane?
The InChIKey is MXWBFCQQULLNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.C2H6/c1-7-8(2)13-11(12)15-10(7)14-9-3-5-16-6-4-9;1-2/h9H,3-6H2,1-2H3,(H3,12,13,14,15);1-2H3.
What are the key properties of 5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane?
5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane has a molecular weight of 252.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine;ethane is sourced from PubChem (CID 143970008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).