2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C13H16ClN3S — CID 80953905

IUPAC2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(NCc2cccs2)n1
InChIInChI=1S/C13H16ClN3S/c1-13(2,3)12-16-10(14)7-11(17-12)15-8-9-5-4-6-18-9/h4-7H,8H2,1-3H3,(H,15,16,17)
InChIKeyRXTAKMYAMDUMEP-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.10
Rot. Bonds3

About 2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80953905) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID80953905
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1nc(Cl)cc(NCc2cccs2)n1
InChIInChI=1S/C13H16ClN3S/c1-13(2,3)12-16-10(14)7-11(17-12)15-8-9-5-4-6-18-9/h4-7H,8H2,1-3H3,(H,15,16,17)
InChIKeyRXTAKMYAMDUMEP-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772969
6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80774344
6-ethoxy-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 63590573
2-ethyl-6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933272
6-N-ethyl-2-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80955053
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643760
2-tert-butyl-6-chloro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80948792
2-tert-butyl-6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 80950966
6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817433
2-tert-butyl-6-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 106193343
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 80953905) is 2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is CC(C)(C)c1nc(Cl)cc(NCc2cccs2)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is RXTAKMYAMDUMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-13(2,3)12-16-10(14)7-11(17-12)15-8-9-5-4-6-18-9/h4-7H,8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 281.81 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80953905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).