4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine

C14H24N4O — CID 83039166

IUPAC4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H24N4O/c1-5-15-13-16-9-10(2)12(18-13)17-11-6-7-19-14(3,4)8-11/h9,11H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyQVMNSYKQGSTUIF-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.59
Rot. Bonds4

About 4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine

4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine (PubChem CID 83039166) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
PubChem CID83039166
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H24N4O/c1-5-15-13-16-9-10(2)12(18-13)17-11-6-7-19-14(3,4)8-11/h9,11H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyQVMNSYKQGSTUIF-UHFFFAOYSA-N
XLogP2.59
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 114542208
2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 80853565
2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 80830256
2-N-ethyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80840988
4-N-(2,2-dimethyloxan-4-yl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 83039257
5-methyl-4-N-(oxolan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80853655
2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
CID 80854891
2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine
CID 83027817
2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine
CID 83027015
4-N-(2,3-dimethylcyclohexyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80777222
6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine
CID 83028527
3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine
CID 83029129

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine (CID 83039166) is 4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine is CCNc1ncc(C)c(NC2CCOC(C)(C)C2)n1.
What is the InChIKey of 4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The InChIKey is QVMNSYKQGSTUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-15-13-16-9-10(2)12(18-13)17-11-6-7-19-14(3,4)8-11/h9,11H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 83039166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).