5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

C9H8IN3S — CID 66341707

IUPAC5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESIc1cncnc1NCc1ccsc1
InChIInChI=1S/C9H8IN3S/c10-8-4-11-6-13-9(8)12-3-7-1-2-14-5-7/h1-2,4-6H,3H2,(H,11,12,13)
InChIKeyNKEUPEWQFJTIGG-UHFFFAOYSA-N
MW317.16 g/mol
LogP2.75
Rot. Bonds3

About 5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (PubChem CID 66341707) has the molecular formula C9H8IN3S and a molecular weight of 317.16 g/mol. Its IUPAC name is 5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
PubChem CID66341707
Molecular FormulaC9H8IN3S
Molecular Weight317.16 g/mol
Exact Mass316.95
IUPAC Name5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
SMILESIc1cncnc1NCc1ccsc1
InChIInChI=1S/C9H8IN3S/c10-8-4-11-6-13-9(8)12-3-7-1-2-14-5-7/h1-2,4-6H,3H2,(H,11,12,13)
InChIKeyNKEUPEWQFJTIGG-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 66342329
N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine
CID 66343007
6-chloro-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729876
6-chloro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,5-diamine
CID 63248168
5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
CID 66343046
5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 105369294
3-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 83065242
5-iodo-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 66341453
6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66327283
5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 63245983
5-bromo-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80828399
5-nitro-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80827948

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine (CID 66341707) is 5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is Ic1cncnc1NCc1ccsc1.
What is the InChIKey of 5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is NKEUPEWQFJTIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3S/c10-8-4-11-6-13-9(8)12-3-7-1-2-14-5-7/h1-2,4-6H,3H2,(H,11,12,13).
What are the key properties of 5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine?
5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 317.16 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(thiophen-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66341707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).