6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine

C14H26N4O — CID 83147579

IUPAC6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCC(C)C(C)(C)C)c1OC
InChIInChI=1S/C14H26N4O/c1-7-15-12-11(19-6)13(18-9-17-12)16-8-10(2)14(3,4)5/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyZXRBEZWZAUYIEC-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.01
Rot. Bonds6

About 6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine

6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine (PubChem CID 83147579) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
PubChem CID83147579
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCC(C)C(C)(C)C)c1OC
InChIInChI=1S/C14H26N4O/c1-7-15-12-11(19-6)13(18-9-17-12)16-8-10(2)14(3,4)5/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyZXRBEZWZAUYIEC-UHFFFAOYSA-N
XLogP3.01
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-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-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146882
1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159733
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
CID 114094101
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 114944716
2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855567
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198550
N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine
CID 102723635
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280657
6-N-ethyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 102701780
6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146884
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
6-N,5-diethyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-4,6-diamine
CID 102908943

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine (CID 83147579) is 6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine is CCNc1ncnc(NCC(C)C(C)(C)C)c1OC.
What is the InChIKey of 6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
The InChIKey is ZXRBEZWZAUYIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-7-15-12-11(19-6)13(18-9-17-12)16-8-10(2)14(3,4)5/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine has a molecular weight of 266.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 83147579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).