4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine

C11H20N4O — CID 80795825

IUPAC4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(C)CCOC
InChIInChI=1S/C11H20N4O/c1-4-5-9-10(12)13-8-14-11(9)15(2)6-7-16-3/h8H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyZZMHQLHVHXBFRN-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.09
Rot. Bonds6

About 4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80795825) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80795825
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(C)CCOC
InChIInChI=1S/C11H20N4O/c1-4-5-9-10(12)13-8-14-11(9)15(2)6-7-16-3/h8H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyZZMHQLHVHXBFRN-UHFFFAOYSA-N
XLogP1.09
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80795825) is 4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1N(C)CCOC.
What is the InChIKey of 4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is ZZMHQLHVHXBFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-5-9-10(12)13-8-14-11(9)15(2)6-7-16-3/h8H,4-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80795825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).