2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine

C14H26N4O2 — CID 82458634

IUPAC2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(COC)nc(NCCC(C)C)c1N
InChIInChI=1S/C14H26N4O2/c1-5-8-20-14-12(15)13(16-7-6-10(2)3)17-11(18-14)9-19-4/h10H,5-9,15H2,1-4H3,(H,16,17,18)
InChIKeyAPASBVSZVZUTJS-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.45
Rot. Bonds9

About 2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine

2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine (PubChem CID 82458634) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine
PubChem CID82458634
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(COC)nc(NCCC(C)C)c1N
InChIInChI=1S/C14H26N4O2/c1-5-8-20-14-12(15)13(16-7-6-10(2)3)17-11(18-14)9-19-4/h10H,5-9,15H2,1-4H3,(H,16,17,18)
InChIKeyAPASBVSZVZUTJS-UHFFFAOYSA-N
XLogP2.45
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-butoxy-2-(methoxymethyl)-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458677
6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458334
6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458664
4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458644
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455942
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458581
2-(methoxymethyl)-6-(2-methylpropoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82458642
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456090
2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82458783

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine (CID 82458634) is 2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine is CCCOc1nc(COC)nc(NCCC(C)C)c1N.
What is the InChIKey of 2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine?
The InChIKey is APASBVSZVZUTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-8-20-14-12(15)13(16-7-6-10(2)3)17-11(18-14)9-19-4/h10H,5-9,15H2,1-4H3,(H,16,17,18).
What are the key properties of 2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine?
2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine has a molecular weight of 282.39 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82458634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).