4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine

C11H21N5O — CID 80825681

IUPAC4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCOCCN(C)CCNc1nc(N)ncc1C
InChIInChI=1S/C11H21N5O/c1-9-8-14-11(12)15-10(9)13-4-5-16(2)6-7-17-3/h8H,4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeySECUFRNIXGSMMA-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.36
Rot. Bonds7

About 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine

4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 80825681) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine
PubChem CID80825681
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine
SMILESCOCCN(C)CCNc1nc(N)ncc1C
InChIInChI=1S/C11H21N5O/c1-9-8-14-11(12)15-10(9)13-4-5-16(2)6-7-17-3/h8H,4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeySECUFRNIXGSMMA-UHFFFAOYSA-N
XLogP0.36
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine (CID 80825681) is 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine is COCCN(C)CCNc1nc(N)ncc1C.
What is the InChIKey of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is SECUFRNIXGSMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-9-8-14-11(12)15-10(9)13-4-5-16(2)6-7-17-3/h8H,4-7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine?
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80825681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).