4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde

C11H10ClN3O2 — CID 66369011

IUPAC4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde
SMILESCc1ccc(CNc2ncnc(Cl)c2C=O)o1
InChIInChI=1S/C11H10ClN3O2/c1-7-2-3-8(17-7)4-13-11-9(5-16)10(12)14-6-15-11/h2-3,5-6H,4H2,1H3,(H,13,14,15)
InChIKeySGIWMLPSWVCQSN-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.46
Rot. Bonds4

About 4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde

4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde (PubChem CID 66369011) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde
PubChem CID66369011
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde
SMILESCc1ccc(CNc2ncnc(Cl)c2C=O)o1
InChIInChI=1S/C11H10ClN3O2/c1-7-2-3-8(17-7)4-13-11-9(5-16)10(12)14-6-15-11/h2-3,5-6H,4H2,1H3,(H,13,14,15)
InChIKeySGIWMLPSWVCQSN-UHFFFAOYSA-N
XLogP2.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde (CID 66369011) is 4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde is Cc1ccc(CNc2ncnc(Cl)c2C=O)o1.
What is the InChIKey of 4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde?
The InChIKey is SGIWMLPSWVCQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-7-2-3-8(17-7)4-13-11-9(5-16)10(12)14-6-15-11/h2-3,5-6H,4H2,1H3,(H,13,14,15).
What are the key properties of 4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde?
4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde has a molecular weight of 251.67 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66369011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).