N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide

C15H15N3O — CID 47400405

IUPACN-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NCC1CC1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C15H15N3O/c19-15(18-8-11-6-7-11)13-9-16-14(17-10-13)12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H,18,19)
InChIKeyHFXAIHOLMVUKTR-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.28
Rot. Bonds4

About N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide

N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 47400405) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID47400405
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NCC1CC1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C15H15N3O/c19-15(18-8-11-6-7-11)13-9-16-14(17-10-13)12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H,18,19)
InChIKeyHFXAIHOLMVUKTR-UHFFFAOYSA-N
XLogP2.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide (CID 47400405) is N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide is O=C(NCC1CC1)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is HFXAIHOLMVUKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15(18-8-11-6-7-11)13-9-16-14(17-10-13)12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H,18,19).
What are the key properties of N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide?
N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 47400405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).