2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine

C13H22N4O — CID 80845554

IUPAC2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NCC2CCOCC2)n1
InChIInChI=1S/C13H22N4O/c1-3-14-13-16-10(2)8-12(17-13)15-9-11-4-6-18-7-5-11/h8,11H,3-7,9H2,1-2H3,(H2,14,15,16,17)
InChIKeySBEBRFSCPCSUSC-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.06
Rot. Bonds5

About 2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine

2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80845554) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80845554
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(C)cc(NCC2CCOCC2)n1
InChIInChI=1S/C13H22N4O/c1-3-14-13-16-10(2)8-12(17-13)15-9-11-4-6-18-7-5-11/h8,11H,3-7,9H2,1-2H3,(H2,14,15,16,17)
InChIKeySBEBRFSCPCSUSC-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

Analyze 2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)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

Related Compounds

6-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80827768
6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772042
N-ethyl-4-methyl-6-(oxolan-3-yloxy)pyrimidin-2-amine
CID 80876812
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
N-(cyclopropylmethyl)-4-ethyl-6-methylpyrimidin-2-amine
CID 131153777
4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818729
2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812413
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827870
4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80833834
4-cyclobutyloxy-N-ethyl-6-methylpyrimidin-2-amine
CID 80873770
4-(2-cyclopropylethoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 106207480

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine (CID 80845554) is 2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine is CCNc1nc(C)cc(NCC2CCOCC2)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is SBEBRFSCPCSUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-14-13-16-10(2)8-12(17-13)15-9-11-4-6-18-7-5-11/h8,11H,3-7,9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-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 2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80845554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).