5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine

C16H28N4O — CID 80818393

IUPAC5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CC2CCCOC2)c1CC
InChIInChI=1S/C16H28N4O/c1-4-8-17-15-14(5-2)16(19-12-18-15)20(3)10-13-7-6-9-21-11-13/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyZUEQRMGCMBPPGF-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.72
Rot. Bonds7

About 5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine

5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80818393) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80818393
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CC2CCCOC2)c1CC
InChIInChI=1S/C16H28N4O/c1-4-8-17-15-14(5-2)16(19-12-18-15)20(3)10-13-7-6-9-21-11-13/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyZUEQRMGCMBPPGF-UHFFFAOYSA-N
XLogP2.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-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

5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 114072016
N-(cyclopropylmethyl)-5-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899182
5-ethyl-4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80796623
5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 66318184
N,3-dimethyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 126785250
N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 114216347
6-chloro-N-methyl-5-nitro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 63706397
4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80799799
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)-5-propylpyrimidin-4-amine
CID 80910226
6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80846682
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 63727442
5-[[methyl(oxan-3-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 63711460

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine (CID 80818393) is 5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(N(C)CC2CCCOC2)c1CC.
What is the InChIKey of 5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ZUEQRMGCMBPPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-8-17-15-14(5-2)16(19-12-18-15)20(3)10-13-7-6-9-21-11-13/h12-13H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80818393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).