N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine

C11H13N3S — CID 62748739

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine
SMILESCc1ccc(CNCc2ccncn2)s1
InChIInChI=1S/C11H13N3S/c1-9-2-3-11(15-9)7-13-6-10-4-5-12-8-14-10/h2-5,8,13H,6-7H2,1H3
InChIKeyLFUXPPSJFFKDLO-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.14
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine

N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine (PubChem CID 62748739) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine
PubChem CID62748739
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine
SMILESCc1ccc(CNCc2ccncn2)s1
InChIInChI=1S/C11H13N3S/c1-9-2-3-11(15-9)7-13-6-10-4-5-12-8-14-10/h2-5,8,13H,6-7H2,1H3
InChIKeyLFUXPPSJFFKDLO-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine (CID 62748739) is N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine is Cc1ccc(CNCc2ccncn2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine?
The InChIKey is LFUXPPSJFFKDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-9-2-3-11(15-9)7-13-6-10-4-5-12-8-14-10/h2-5,8,13H,6-7H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine?
N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine is sourced from PubChem (CID 62748739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).