5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine

C9H15ClN4O — CID 80796727

IUPAC5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(N(C)CCOC)n1
InChIInChI=1S/C9H15ClN4O/c1-11-9-12-6-7(10)8(13-9)14(2)4-5-15-3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyFMBWOFUMJQMNBU-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.25
Rot. Bonds5

About 5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine

5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 80796727) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID80796727
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(N(C)CCOC)n1
InChIInChI=1S/C9H15ClN4O/c1-11-9-12-6-7(10)8(13-9)14(2)4-5-15-3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyFMBWOFUMJQMNBU-UHFFFAOYSA-N
XLogP1.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 80796727) is 5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1ncc(Cl)c(N(C)CCOC)n1.
What is the InChIKey of 5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is FMBWOFUMJQMNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-11-9-12-6-7(10)8(13-9)14(2)4-5-15-3/h6H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine?
5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 230.70 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80796727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).