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

C7H10ClN3 — CID 40787015

IUPAC6-chloro-N,N,2-trimethylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(C)C)n1
InChIInChI=1S/C7H10ClN3/c1-5-9-6(8)4-7(10-5)11(2)3/h4H,1-3H3
InChIKeyMEFOLQWSRBDONE-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.50
Rot. Bonds1

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

6-chloro-N,N,2-trimethylpyrimidin-4-amine (PubChem CID 40787015) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 6-chloro-N,N,2-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N,2-trimethylpyrimidin-4-amine
PubChem CID40787015
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name6-chloro-N,N,2-trimethylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(C)C)n1
InChIInChI=1S/C7H10ClN3/c1-5-9-6(8)4-7(10-5)11(2)3/h4H,1-3H3
InChIKeyMEFOLQWSRBDONE-UHFFFAOYSA-N
XLogP1.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4,6-dichloropyrimidine
CID 65522
2,4-Diamino-6-chloropyrimidine
CID 67432
2,4,6-Trichloropyrimidine
CID 77378
4-Pyrimidinamine, 2,6-dichloro-
CID 82387
4,6-Dichloro-2-methylpyrimidine
CID 234997
n4-Butyl-6-chloropyrimidine-2,4-diamine
CID 229862
6-Chloro-N~4~,N~4~-diethylpyrimidine-2,4-diamine
CID 1484287
4,6-Dichloropyrimidine
CID 70943
4-Amino-6-chloropyrimidine
CID 238012
6-chloro-N-methylpyrimidin-4-amine
CID 309479
4-Chloro-6-(pyrrolidin-1-yl)pyrimidin-2-amine
CID 1481938
Ethymidine
CID 96014

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N,2-trimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N,N,2-trimethylpyrimidin-4-amine (CID 40787015) is 6-chloro-N,N,2-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,N,2-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,N,2-trimethylpyrimidin-4-amine is Cc1nc(Cl)cc(N(C)C)n1.
What is the InChIKey of 6-chloro-N,N,2-trimethylpyrimidin-4-amine?
The InChIKey is MEFOLQWSRBDONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-5-9-6(8)4-7(10-5)11(2)3/h4H,1-3H3.
What are the key properties of 6-chloro-N,N,2-trimethylpyrimidin-4-amine?
6-chloro-N,N,2-trimethylpyrimidin-4-amine has a molecular weight of 171.63 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N,2-trimethylpyrimidin-4-amine is sourced from PubChem (CID 40787015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).