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

C15H28N4O — CID 83146882

IUPAC5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC(C)C(C)(C)C)c1OC
InChIInChI=1S/C15H28N4O/c1-7-8-16-13-12(20-6)14(19-10-18-13)17-9-11(2)15(3,4)5/h10-11H,7-9H2,1-6H3,(H2,16,17,18,19)
InChIKeyBOBLFJCMTAOQMI-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.40
Rot. Bonds7

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

5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine (PubChem CID 83146882) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
PubChem CID83146882
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC(C)C(C)(C)C)c1OC
InChIInChI=1S/C15H28N4O/c1-7-8-16-13-12(20-6)14(19-10-18-13)17-9-11(2)15(3,4)5/h10-11H,7-9H2,1-6H3,(H2,16,17,18,19)
InChIKeyBOBLFJCMTAOQMI-UHFFFAOYSA-N
XLogP3.40
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83147579
3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180772
5-methoxy-4-N-[(2-methylcyclopropyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 113464276
5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine
CID 113467587
N-[3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332310
2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241876
6-(2-cyclopropylethoxy)-5-methoxy-N-propylpyrimidin-4-amine
CID 114158214
1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159733
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 104568305
6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine
CID 82807303
5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80833383
6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146884

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine (CID 83146882) is 5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine is CCCNc1ncnc(NCC(C)C(C)(C)C)c1OC.
What is the InChIKey of 5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
The InChIKey is BOBLFJCMTAOQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-7-8-16-13-12(20-6)14(19-10-18-13)17-9-11(2)15(3,4)5/h10-11H,7-9H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine?
5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine has a molecular weight of 280.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 83146882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).