6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

C13H17N3S — CID 60965790

IUPAC6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2ccsc2)nc(C(C)C)n1
InChIInChI=1S/C13H17N3S/c1-9(2)13-15-10(3)6-12(16-13)14-7-11-4-5-17-8-11/h4-6,8-9H,7H2,1-3H3,(H,14,15,16)
InChIKeyDELNGGPEQSNPQW-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.58
Rot. Bonds4

About 6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (PubChem CID 60965790) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
PubChem CID60965790
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2ccsc2)nc(C(C)C)n1
InChIInChI=1S/C13H17N3S/c1-9(2)13-15-10(3)6-12(16-13)14-7-11-4-5-17-8-11/h4-6,8-9H,7H2,1-3H3,(H,14,15,16)
InChIKeyDELNGGPEQSNPQW-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.58
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-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (CID 60965790) is 6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is Cc1cc(NCc2ccsc2)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is DELNGGPEQSNPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(2)13-15-10(3)6-12(16-13)14-7-11-4-5-17-8-11/h4-6,8-9H,7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 3.58, 4 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-(thiophen-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 60965790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).