6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine

C9H15ClN4 — CID 130006754

IUPAC6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)cc(NC)n1
InChIInChI=1S/C9H15ClN4/c1-4-14(5-2)9-12-7(10)6-8(11-3)13-9/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyHARUGHYMNQMZHG-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.02
Rot. Bonds4

About 6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 130006754) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID130006754
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)cc(NC)n1
InChIInChI=1S/C9H15ClN4/c1-4-14(5-2)9-12-7(10)6-8(11-3)13-9/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyHARUGHYMNQMZHG-UHFFFAOYSA-N
XLogP2.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine (CID 130006754) is 6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine is CCN(CC)c1nc(Cl)cc(NC)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is HARUGHYMNQMZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-4-14(5-2)9-12-7(10)6-8(11-3)13-9/h6H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 214.70 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 130006754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).