2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide

C20H18ClFN4O — CID 109305390

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClFN4O/c21-16-7-5-14(6-8-16)9-11-23-20-24-12-10-18(26-20)19(27)25-13-15-3-1-2-4-17(15)22/h1-8,10,12H,9,11,13H2,(H,25,27)(H,23,24,26)
InChIKeyBHBIDMKJDCNCMQ-UHFFFAOYSA-N
MW384.84 g/mol
LogP3.85
Rot. Bonds7

About 2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide

2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109305390) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109305390
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccnc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClFN4O/c21-16-7-5-14(6-8-16)9-11-23-20-24-12-10-18(26-20)19(27)25-13-15-3-1-2-4-17(15)22/h1-8,10,12H,9,11,13H2,(H,25,27)(H,23,24,26)
InChIKeyBHBIDMKJDCNCMQ-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)ethylamino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304065
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328541
2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303449
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109305403
N-[(2-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109305856
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891261
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
N-[(2-fluorophenyl)methyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109305399
2-(3-chloro-4-fluoroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305444
2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313125

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109305390) is 2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is O=C(NCc1ccccc1F)c1ccnc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is BHBIDMKJDCNCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c21-16-7-5-14(6-8-16)9-11-23-20-24-12-10-18(26-20)19(27)25-13-15-3-1-2-4-17(15)22/h1-8,10,12H,9,11,13H2,(H,25,27)(H,23,24,26).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109305390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).