6-chloro-N,2,5-trimethylpyrimidin-4-amine

C7H10ClN3 — CID 59158241

IUPAC6-chloro-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Cl)c1C
InChIInChI=1S/C7H10ClN3/c1-4-6(8)10-5(2)11-7(4)9-3/h1-3H3,(H,9,10,11)
InChIKeyBCARXOCELOODSY-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.79
Rot. Bonds1

About 6-chloro-N,2,5-trimethylpyrimidin-4-amine

6-chloro-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 59158241) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 6-chloro-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2,5-trimethylpyrimidin-4-amine
PubChem CID59158241
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name6-chloro-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Cl)c1C
InChIInChI=1S/C7H10ClN3/c1-4-6(8)10-5(2)11-7(4)9-3/h1-3H3,(H,9,10,11)
InChIKeyBCARXOCELOODSY-UHFFFAOYSA-N
XLogP1.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63735248
[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]methanol
CID 164917253
6-chloro-2,5-dimethyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 63736491
6-chloro-N-(1,1-difluoropropan-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 130979497
2-[4-chloro-2-methyl-6-(methylamino)pyrimidin-5-yl]ethanol
CID 58336208
6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 63736474
6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 63734406
6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
CID 63730254
6-chloro-2,5-dimethyl-N-(1-methylcyclopentyl)pyrimidin-4-amine
CID 64686877
4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine
CID 21059252
6-chloro-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 106197156
2-chloro-N,5,6-trimethylpyrimidin-4-amine
CID 82460587

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2,5-trimethylpyrimidin-4-amine (CID 59158241) is 6-chloro-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(Cl)c1C.
What is the InChIKey of 6-chloro-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is BCARXOCELOODSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-4-6(8)10-5(2)11-7(4)9-3/h1-3H3,(H,9,10,11).
What are the key properties of 6-chloro-N,2,5-trimethylpyrimidin-4-amine?
6-chloro-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 171.63 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 59158241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).