4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide

C16H12Cl2N4O2 — CID 142609116

IUPAC4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide
SMILESNc1nc(-c2ccco2)ncc1C(=O)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl2N4O2/c17-11-3-1-4-12(18)9(11)7-21-16(23)10-8-20-15(22-14(10)19)13-5-2-6-24-13/h1-6,8H,7H2,(H,21,23)(H2,19,20,22)
InChIKeyMTHAGVFQTSFTCU-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.56
Rot. Bonds4

About 4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide

4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide (PubChem CID 142609116) has the molecular formula C16H12Cl2N4O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is 4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide
PubChem CID142609116
Molecular FormulaC16H12Cl2N4O2
Molecular Weight363.20 g/mol
Exact Mass362.03
IUPAC Name4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide
SMILESNc1nc(-c2ccco2)ncc1C(=O)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl2N4O2/c17-11-3-1-4-12(18)9(11)7-21-16(23)10-8-20-15(22-14(10)19)13-5-2-6-24-13/h1-6,8H,7H2,(H,21,23)(H2,19,20,22)
InChIKeyMTHAGVFQTSFTCU-UHFFFAOYSA-N
XLogP3.56
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide (CID 142609116) is 4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide is Nc1nc(-c2ccco2)ncc1C(=O)NCc1c(Cl)cccc1Cl.
What is the InChIKey of 4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is MTHAGVFQTSFTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2/c17-11-3-1-4-12(18)9(11)7-21-16(23)10-8-20-15(22-14(10)19)13-5-2-6-24-13/h1-6,8H,7H2,(H,21,23)(H2,19,20,22).
What are the key properties of 4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide?
4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 363.20 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,6-dichlorophenyl)methyl]-2-(furan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 142609116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).