6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine

C15H25ClN8 — CID 157116482

IUPAC6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine
SMILESCC(C)c1ncnc(N(C)C)c1N.CN(C)c1ncnc(Cl)c1N
InChIInChI=1S/C9H16N4.C6H9ClN4/c1-6(2)8-7(10)9(13(3)4)12-5-11-8;1-11(2)6-4(8)5(7)9-3-10-6/h5-6H,10H2,1-4H3;3H,8H2,1-2H3
InChIKeyAHLUEHYOXOBAFZ-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.03
Rot. Bonds3

About 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine

6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine (PubChem CID 157116482) has the molecular formula C15H25ClN8 and a molecular weight of 352.87 g/mol. Its IUPAC name is 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine
PubChem CID157116482
Molecular FormulaC15H25ClN8
Molecular Weight352.87 g/mol
Exact Mass352.19
IUPAC Name6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine
SMILESCC(C)c1ncnc(N(C)C)c1N.CN(C)c1ncnc(Cl)c1N
InChIInChI=1S/C9H16N4.C6H9ClN4/c1-6(2)8-7(10)9(13(3)4)12-5-11-8;1-11(2)6-4(8)5(7)9-3-10-6/h5-6H,10H2,1-4H3;3H,8H2,1-2H3
InChIKeyAHLUEHYOXOBAFZ-UHFFFAOYSA-N
XLogP2.03
TPSA110.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine (CID 157116482) is 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine is CC(C)c1ncnc(N(C)C)c1N.CN(C)c1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine?
The InChIKey is AHLUEHYOXOBAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.C6H9ClN4/c1-6(2)8-7(10)9(13(3)4)12-5-11-8;1-11(2)6-4(8)5(7)9-3-10-6/h5-6H,10H2,1-4H3;3H,8H2,1-2H3.
What are the key properties of 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine?
6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine has a molecular weight of 352.87 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine;4-N,4-N-dimethyl-6-propan-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 157116482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).