6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

C14H19N3S — CID 43395312

IUPAC6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCc2cccs2)nc(C(C)C)n1
InChIInChI=1S/C14H19N3S/c1-10(2)14-16-11(3)9-13(17-14)15-7-6-12-5-4-8-18-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyQDKIBQYJHDLMKU-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.62
Rot. Bonds5

About 6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine (PubChem CID 43395312) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
PubChem CID43395312
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCc2cccs2)nc(C(C)C)n1
InChIInChI=1S/C14H19N3S/c1-10(2)14-16-11(3)9-13(17-14)15-7-6-12-5-4-8-18-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyQDKIBQYJHDLMKU-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine (CID 43395312) is 6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine is Cc1cc(NCCc2cccs2)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The InChIKey is QDKIBQYJHDLMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10(2)14-16-11(3)9-13(17-14)15-7-6-12-5-4-8-18-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,16,17).
What are the key properties of 6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine has a molecular weight of 261.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 43395312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).