2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide

C18H16ClN5O — CID 44520960

IUPAC2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1cc(-c2cccc(Cl)c2)nc(N)n1
InChIInChI=1S/C18H16ClN5O/c1-11-4-3-7-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-5-2-6-13(19)8-12/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24)
InChIKeyUEEYBUDDHSTDBQ-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.01
Rot. Bonds4

About 2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide

2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (PubChem CID 44520960) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
PubChem CID44520960
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccnc1CNC(=O)c1cc(-c2cccc(Cl)c2)nc(N)n1
InChIInChI=1S/C18H16ClN5O/c1-11-4-3-7-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-5-2-6-13(19)8-12/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24)
InChIKeyUEEYBUDDHSTDBQ-UHFFFAOYSA-N
XLogP3.01
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide (CID 44520960) is 2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is Cc1cccnc1CNC(=O)c1cc(-c2cccc(Cl)c2)nc(N)n1.
What is the InChIKey of 2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is UEEYBUDDHSTDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-11-4-3-7-21-16(11)10-22-17(25)15-9-14(23-18(20)24-15)12-5-2-6-13(19)8-12/h2-9H,10H2,1H3,(H,22,25)(H2,20,23,24).
What are the key properties of 2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide?
2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 44520960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).