2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine

C13H16ClN3S — CID 79488363

IUPAC2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1N(C)C(C)Cc1cccs1
InChIInChI=1S/C13H16ClN3S/c1-9-8-15-13(14)16-12(9)17(3)10(2)7-11-5-4-6-18-11/h4-6,8,10H,7H2,1-3H3
InChIKeyFGRMXQLMBJACFG-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.57
Rot. Bonds4

About 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine

2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine (PubChem CID 79488363) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
PubChem CID79488363
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
SMILESCc1cnc(Cl)nc1N(C)C(C)Cc1cccs1
InChIInChI=1S/C13H16ClN3S/c1-9-8-15-13(14)16-12(9)17(3)10(2)7-11-5-4-6-18-11/h4-6,8,10H,7H2,1-3H3
InChIKeyFGRMXQLMBJACFG-UHFFFAOYSA-N
XLogP3.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N,5-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849338
2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79072473
3-chloro-N,5,6-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 79488274
2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488087
5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid
CID 80631787
3-N-methyl-3-N-(1-thiophen-2-ylpropan-2-yl)pyrazine-2,3-diamine
CID 113268505
4-(aminomethyl)-3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 107055661
3-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 79073009
6-chloro-N-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488086
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 79487177
6-chloro-2-N-methyl-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837356
[3-fluoro-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4-pyridinyl]methanol
CID 105383120

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine (CID 79488363) is 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine is Cc1cnc(Cl)nc1N(C)C(C)Cc1cccs1.
What is the InChIKey of 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is FGRMXQLMBJACFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-9-8-15-13(14)16-12(9)17(3)10(2)7-11-5-4-6-18-11/h4-6,8,10H,7H2,1-3H3.
What are the key properties of 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine?
2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 281.81 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79488363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).