6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine

C14H24N4O — CID 80994246

IUPAC6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NC2CCOCC2)c1C
InChIInChI=1S/C14H24N4O/c1-4-12-17-13(15-5-2)10(3)14(18-12)16-11-6-8-19-9-7-11/h11H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyHDDWCNPNCPCJSK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.37
Rot. Bonds5

About 6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine

6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine (PubChem CID 80994246) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
PubChem CID80994246
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(NC2CCOCC2)c1C
InChIInChI=1S/C14H24N4O/c1-4-12-17-13(15-5-2)10(3)14(18-12)16-11-6-8-19-9-7-11/h11H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyHDDWCNPNCPCJSK-UHFFFAOYSA-N
XLogP2.37
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994083
4-N-(1,1-dioxothian-4-yl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80986945
6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789183
4-N-cycloheptyl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80985784
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
N-ethyl-5-methyl-6-(oxan-4-yloxy)-2-propylpyrimidin-4-amine
CID 80990812
6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 114542059
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984810
4-N-cyclobutyl-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80982309
5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine
CID 115735766
6-(3,4-dimethylcyclohexyl)oxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80991257

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine (CID 80994246) is 6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine is CCNc1nc(CC)nc(NC2CCOCC2)c1C.
What is the InChIKey of 6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
The InChIKey is HDDWCNPNCPCJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-12-17-13(15-5-2)10(3)14(18-12)16-11-6-8-19-9-7-11/h11H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80994246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).