2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine

C9H8ClN3S — CID 82287684

IUPAC2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine
SMILESNc1cnc(Cc2ccc(Cl)s2)nc1
InChIInChI=1S/C9H8ClN3S/c10-8-2-1-7(14-8)3-9-12-4-6(11)5-13-9/h1-2,4-5H,3,11H2
InChIKeyAKWIHOZFCYBSQP-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.36
Rot. Bonds2

About 2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine

2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine (PubChem CID 82287684) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine
PubChem CID82287684
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine
SMILESNc1cnc(Cc2ccc(Cl)s2)nc1
InChIInChI=1S/C9H8ClN3S/c10-8-2-1-7(14-8)3-9-12-4-6(11)5-13-9/h1-2,4-5H,3,11H2
InChIKeyAKWIHOZFCYBSQP-UHFFFAOYSA-N
XLogP2.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine (CID 82287684) is 2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine is Nc1cnc(Cc2ccc(Cl)s2)nc1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine?
The InChIKey is AKWIHOZFCYBSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-8-2-1-7(14-8)3-9-12-4-6(11)5-13-9/h1-2,4-5H,3,11H2.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine?
2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine has a molecular weight of 225.70 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 82287684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).