5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine

C13H22N4O — CID 80782203

IUPAC5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NC(C)C1CCCO1
InChIInChI=1S/C13H22N4O/c1-4-10-12(14-3)15-8-16-13(10)17-9(2)11-6-5-7-18-11/h8-9,11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyORSYCGAWIPDIKO-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.06
Rot. Bonds5

About 5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine

5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80782203) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80782203
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NC(C)C1CCCO1
InChIInChI=1S/C13H22N4O/c1-4-10-12(14-3)15-8-16-13(10)17-9(2)11-6-5-7-18-11/h8-9,11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyORSYCGAWIPDIKO-UHFFFAOYSA-N
XLogP2.06
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80782203) is 5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine is CCc1c(NC)ncnc1NC(C)C1CCCO1.
What is the InChIKey of 5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is ORSYCGAWIPDIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-10-12(14-3)15-8-16-13(10)17-9(2)11-6-5-7-18-11/h8-9,11H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80782203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).