N-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide

C16H19N5O — CID 135209266

IUPACN-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(-c2ncc(N)c(NC(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C16H19N5O/c1-11-4-6-12(7-5-11)14-18-10-13(17)15(19-14)20-16(22)21-8-2-3-9-21/h4-7,10H,2-3,8-9,17H2,1H3,(H,18,19,20,22)
InChIKeyCTASIJFHBSHLGZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.66
Rot. Bonds2

About N-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide

N-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide (PubChem CID 135209266) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
PubChem CID135209266
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(-c2ncc(N)c(NC(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C16H19N5O/c1-11-4-6-12(7-5-11)14-18-10-13(17)15(19-14)20-16(22)21-8-2-3-9-21/h4-7,10H,2-3,8-9,17H2,1H3,(H,18,19,20,22)
InChIKeyCTASIJFHBSHLGZ-UHFFFAOYSA-N
XLogP2.66
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide (CID 135209266) is N-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide is Cc1ccc(-c2ncc(N)c(NC(=O)N3CCCC3)n2)cc1.
What is the InChIKey of N-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is CTASIJFHBSHLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11-4-6-12(7-5-11)14-18-10-13(17)15(19-14)20-16(22)21-8-2-3-9-21/h4-7,10H,2-3,8-9,17H2,1H3,(H,18,19,20,22).
What are the key properties of N-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide?
N-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(4-methylphenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 135209266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).