2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine

C11H18N4O — CID 80853565

IUPAC2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC2CCOC2)n1
InChIInChI=1S/C11H18N4O/c1-3-12-11-13-6-8(2)10(15-11)14-9-4-5-16-7-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyXFQJIRBYFAROBL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.42
Rot. Bonds4

About 2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine

2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 80853565) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
PubChem CID80853565
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NC2CCOC2)n1
InChIInChI=1S/C11H18N4O/c1-3-12-11-13-6-8(2)10(15-11)14-9-4-5-16-7-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyXFQJIRBYFAROBL-UHFFFAOYSA-N
XLogP1.42
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-5-methyl-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 80830256
5-methyl-4-N-(oxolan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80853655
4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 83039166
2-N-ethyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80840988
4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 114542208
2-N-ethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine
CID 80853828
4-N-(2,3-dimethylcyclohexyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80777222
2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine
CID 80817562
3,5-dimethyl-N-(oxolan-3-yl)pyridin-2-amine
CID 131042784
5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 169018423
N-ethyl-5-methyl-4-(oxetan-3-yloxy)pyrimidin-2-amine
CID 102608905
3,6-diethyl-N-(oxolan-3-yl)pyrazin-2-amine
CID 142247308

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine (CID 80853565) is 2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine is CCNc1ncc(C)c(NC2CCOC2)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is XFQJIRBYFAROBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-12-11-13-6-8(2)10(15-11)14-9-4-5-16-7-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80853565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).