6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine

C7H11ClN4 — CID 171384041

IUPAC6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N(C)C)cc(Cl)n1C
InChIInChI=1S/C7H11ClN4/c1-11(2)6-4-5(8)12(3)7(9)10-6/h4,9H,1-3H3/b9-7+
InChIKeyBGTADJAFAVRPHY-VQHVLOKHSA-N
MW186.65 g/mol
LogP0.62
Rot. Bonds1

About 6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine

6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine (PubChem CID 171384041) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine
PubChem CID171384041
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N(C)C)cc(Cl)n1C
InChIInChI=1S/C7H11ClN4/c1-11(2)6-4-5(8)12(3)7(9)10-6/h4,9H,1-3H3/b9-7+
InChIKeyBGTADJAFAVRPHY-VQHVLOKHSA-N
XLogP0.62
TPSA44.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2-amino-1,4-dihydro-4-imino-1-methyl-
CID 101145593
6-Imino-1-methyl-1,6-dihydropyrimidin-4-amine
CID 414705
Pyrimidine, 2,4-diamino-3,6-dihydro-6-imino-3-methyl-
CID 15141702
Pyrimidine, 4-chloro-3,6-dihydro-6-imino-3-methyl-2-methylamino-
CID 85521073
Pyrimidine, 4-chloro-2,3-dihydro-2-imino-3-methyl-6-methylamino-
CID 85521714
Pyrimidine, 2-amino-4-chloro-1,6-dihydro-6-imino-1-methyl-
CID 158307677
Pyrimidine, 2-dimethylamino-1,4-dihydro-4-imino-1-methyl-
CID 171383875
Pyrimidine, 4-dimethylamino-1,2-dihydro-2-imino-1-methyl-
CID 171384332
Pyrimidine, 2-amino-4-chloro-3,6-dihydro-6-imino-3-methyl-
CID 171384756
6-chloro-1-methyl-2H-pyrimidin-3-ium-2,4-diamine iodide
CID 67825333
6-chloro-1-ethyl-2H-pyrimidin-3-ium-2,4-diamine iodide
CID 67825338
2,6-Dichloro-3-methylpyrimidin-4-imine
CID 118395274

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine (CID 171384041) is 6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine is [H]/N=c1\nc(N(C)C)cc(Cl)n1C.
What is the InChIKey of 6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine?
The InChIKey is BGTADJAFAVRPHY-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H11ClN4/c1-11(2)6-4-5(8)12(3)7(9)10-6/h4,9H,1-3H3/b9-7+.
What are the key properties of 6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine?
6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine has a molecular weight of 186.65 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-imino-N,N,1-trimethylpyrimidin-4-amine is sourced from PubChem (CID 171384041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).