6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine

C14H24N4O — CID 97113429

IUPAC6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N(C)C[C@H]2CCCCO2)c1C
InChIInChI=1S/C14H24N4O/c1-4-12-10(2)13(17-14(15)16-12)18(3)9-11-7-5-6-8-19-11/h11H,4-9H2,1-3H3,(H2,15,16,17)/t11-/m1/s1
InChIKeyZRMYCWYZXWFRMC-LLVKDONJSA-N
MW264.37 g/mol
LogP1.93
Rot. Bonds4

About 6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine

6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 97113429) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
PubChem CID97113429
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N(C)C[C@H]2CCCCO2)c1C
InChIInChI=1S/C14H24N4O/c1-4-12-10(2)13(17-14(15)16-12)18(3)9-11-7-5-6-8-19-11/h11H,4-9H2,1-3H3,(H2,15,16,17)/t11-/m1/s1
InChIKeyZRMYCWYZXWFRMC-LLVKDONJSA-N
XLogP1.93
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine (CID 97113429) is 6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine is CCc1nc(N)nc(N(C)C[C@H]2CCCCO2)c1C.
What is the InChIKey of 6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is ZRMYCWYZXWFRMC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-12-10(2)13(17-14(15)16-12)18(3)9-11-7-5-6-8-19-11/h11H,4-9H2,1-3H3,(H2,15,16,17)/t11-/m1/s1.
What are the key properties of 6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine?
6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 264.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N,5-dimethyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 97113429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).