pyrimidin-4-yl(thiophen-2-yl)methanamine

C9H9N3S — CID 63989567

IUPACpyrimidin-4-yl(thiophen-2-yl)methanamine
SMILESNC(c1ccncn1)c1cccs1
InChIInChI=1S/C9H9N3S/c10-9(8-2-1-5-13-8)7-3-4-11-6-12-7/h1-6,9H,10H2
InChIKeyQNKAKMIDCLYQGA-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.59
Rot. Bonds2

About pyrimidin-4-yl(thiophen-2-yl)methanamine

pyrimidin-4-yl(thiophen-2-yl)methanamine (PubChem CID 63989567) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is pyrimidin-4-yl(thiophen-2-yl)methanamine.

Molecular Properties

Compound Namepyrimidin-4-yl(thiophen-2-yl)methanamine
PubChem CID63989567
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Namepyrimidin-4-yl(thiophen-2-yl)methanamine
SMILESNC(c1ccncn1)c1cccs1
InChIInChI=1S/C9H9N3S/c10-9(8-2-1-5-13-8)7-3-4-11-6-12-7/h1-6,9H,10H2
InChIKeyQNKAKMIDCLYQGA-UHFFFAOYSA-N
XLogP1.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
(4-methyl-3-pyridinyl)-thiophen-2-ylmethanamine
CID 66274388
(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethanamine
CID 130873902
(3-methoxypyrazin-2-yl)-pyrimidin-4-ylmethanamine
CID 104515599
(6-methylpyridazin-3-yl)-thiophen-2-ylmethanamine
CID 131057763
3-[(R)-amino(thiophen-2-yl)methyl]pyridin-2-amine;hydrochloride
CID 171230932
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
(1S)-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 81399207
(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 63989775
(2-fluoro-3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 82807720
(4-fluoro-3-methylphenyl)-pyrimidin-4-ylmethanamine
CID 63989151

Frequently Asked Questions

What is the IUPAC name of pyrimidin-4-yl(thiophen-2-yl)methanamine?
The IUPAC name of pyrimidin-4-yl(thiophen-2-yl)methanamine (CID 63989567) is pyrimidin-4-yl(thiophen-2-yl)methanamine.
What is the SMILES notation for pyrimidin-4-yl(thiophen-2-yl)methanamine?
The canonical SMILES for pyrimidin-4-yl(thiophen-2-yl)methanamine is NC(c1ccncn1)c1cccs1.
What is the InChIKey of pyrimidin-4-yl(thiophen-2-yl)methanamine?
The InChIKey is QNKAKMIDCLYQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c10-9(8-2-1-5-13-8)7-3-4-11-6-12-7/h1-6,9H,10H2.
What are the key properties of pyrimidin-4-yl(thiophen-2-yl)methanamine?
pyrimidin-4-yl(thiophen-2-yl)methanamine has a molecular weight of 191.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-4-yl(thiophen-2-yl)methanamine is sourced from PubChem (CID 63989567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).