N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine

C11H13N3S — CID 62748083

IUPACN-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine
SMILESCNCc1ccnc(Cc2cccs2)n1
InChIInChI=1S/C11H13N3S/c1-12-8-9-4-5-13-11(14-9)7-10-3-2-6-15-10/h2-6,12H,7-8H2,1H3
InChIKeyOHCFOSUAENOTRX-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.85
Rot. Bonds4

About N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine

N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine (PubChem CID 62748083) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine
PubChem CID62748083
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine
SMILESCNCc1ccnc(Cc2cccs2)n1
InChIInChI=1S/C11H13N3S/c1-12-8-9-4-5-13-11(14-9)7-10-3-2-6-15-10/h2-6,12H,7-8H2,1H3
InChIKeyOHCFOSUAENOTRX-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 62748086
1-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 82806848
N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine
CID 62321572
N-methyl-1-[6-(thiophen-2-ylmethoxy)pyrazin-2-yl]methanamine
CID 66465223
N-methyl-1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62502528
4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 130483640
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 119131200
6-ethyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 62503227
N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 106906849
1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine
CID 105391405
N-methyl-1-[2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methanamine
CID 66088574
N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 107379721

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine (CID 62748083) is N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine is CNCc1ccnc(Cc2cccs2)n1.
What is the InChIKey of N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine?
The InChIKey is OHCFOSUAENOTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-12-8-9-4-5-13-11(14-9)7-10-3-2-6-15-10/h2-6,12H,7-8H2,1H3.
What are the key properties of N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine?
N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine has a molecular weight of 219.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 62748083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).