6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine

C16H22ClN3S — CID 80970400

IUPAC6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCC(C)(C)c1cccs1
InChIInChI=1S/C16H22ClN3S/c1-10(2)14-19-13(17)11(3)15(20-14)18-9-16(4,5)12-7-6-8-21-12/h6-8,10H,9H2,1-5H3,(H,18,19,20)
InChIKeyFKTRHPWATIKUTE-UHFFFAOYSA-N
MW323.89 g/mol
LogP5.01
Rot. Bonds5

About 6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80970400) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80970400
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC Name6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCC(C)(C)c1cccs1
InChIInChI=1S/C16H22ClN3S/c1-10(2)14-19-13(17)11(3)15(20-14)18-9-16(4,5)12-7-6-8-21-12/h6-8,10H,9H2,1-5H3,(H,18,19,20)
InChIKeyFKTRHPWATIKUTE-UHFFFAOYSA-N
XLogP5.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.89
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
6-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-4,5-diamine
CID 80527084
5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80851975
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528214
6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970081
4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80851821
4-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-5-carbaldehyde
CID 80527583
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106038517
6-chloro-5-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80971193
6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994262
6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972906
6-chloro-5-methyl-N-(2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-amine
CID 106196742

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine (CID 80970400) is 6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NCC(C)(C)c1cccs1.
What is the InChIKey of 6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is FKTRHPWATIKUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3S/c1-10(2)14-19-13(17)11(3)15(20-14)18-9-16(4,5)12-7-6-8-21-12/h6-8,10H,9H2,1-5H3,(H,18,19,20).
What are the key properties of 6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 323.89 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80970400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).