2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine

C10H10ClN3O — CID 62341687

IUPAC2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccoc1)c1ccnc(Cl)n1
InChIInChI=1S/C10H10ClN3O/c1-14(6-8-3-5-15-7-8)9-2-4-12-10(11)13-9/h2-5,7H,6H2,1H3
InChIKeyULHZDGNLAJLXDB-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.36
Rot. Bonds3

About 2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine

2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 62341687) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
PubChem CID62341687
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccoc1)c1ccnc(Cl)n1
InChIInChI=1S/C10H10ClN3O/c1-14(6-8-3-5-15-7-8)9-2-4-12-10(11)13-9/h2-5,7H,6H2,1H3
InChIKeyULHZDGNLAJLXDB-UHFFFAOYSA-N
XLogP2.36
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine (CID 62341687) is 2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine is CN(Cc1ccoc1)c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is ULHZDGNLAJLXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-14(6-8-3-5-15-7-8)9-2-4-12-10(11)13-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 223.66 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62341687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).