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

C12H23N5O — CID 64830672

IUPAC4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCOCCN(C)CCNc1ccnc(N(C)C)n1
InChIInChI=1S/C12H23N5O/c1-16(2)12-14-6-5-11(15-12)13-7-8-17(3)9-10-18-4/h5-6H,7-10H2,1-4H3,(H,13,14,15)
InChIKeyIKUCONYXFJXZHM-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.53
Rot. Bonds8

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

4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 64830672) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID64830672
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCOCCN(C)CCNc1ccnc(N(C)C)n1
InChIInChI=1S/C12H23N5O/c1-16(2)12-14-6-5-11(15-12)13-7-8-17(3)9-10-18-4/h5-6H,7-10H2,1-4H3,(H,13,14,15)
InChIKeyIKUCONYXFJXZHM-UHFFFAOYSA-N
XLogP0.53
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
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]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 64830672) is 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is COCCN(C)CCNc1ccnc(N(C)C)n1.
What is the InChIKey of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is IKUCONYXFJXZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-16(2)12-14-6-5-11(15-12)13-7-8-17(3)9-10-18-4/h5-6H,7-10H2,1-4H3,(H,13,14,15).
What are the key properties of 4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 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]-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 64830672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).