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

C11H18N4O — CID 80780884

IUPAC2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NC(C)C2CCCO2)n1
InChIInChI=1S/C11H18N4O/c1-7(9-4-3-5-16-9)13-11-6-10(12)14-8(2)15-11/h6-7,9H,3-5H2,1-2H3,(H3,12,13,14,15)
InChIKeyISMKKWQLUAUEDA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.35
Rot. Bonds3

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

2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80780884) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80780884
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NC(C)C2CCCO2)n1
InChIInChI=1S/C11H18N4O/c1-7(9-4-3-5-16-9)13-11-6-10(12)14-8(2)15-11/h6-7,9H,3-5H2,1-2H3,(H3,12,13,14,15)
InChIKeyISMKKWQLUAUEDA-UHFFFAOYSA-N
XLogP1.35
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80780884) is 2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine is Cc1nc(N)cc(NC(C)C2CCCO2)n1.
What is the InChIKey of 2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is ISMKKWQLUAUEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(9-4-3-5-16-9)13-11-6-10(12)14-8(2)15-11/h6-7,9H,3-5H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80780884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).