N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide

C14H19N5O — CID 74236438

IUPACN-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NCCCn2ccnc2)cn1
InChIInChI=1S/C14H19N5O/c1-11(2)13-17-8-12(9-18-13)14(20)16-4-3-6-19-7-5-15-10-19/h5,7-11H,3-4,6H2,1-2H3,(H,16,20)
InChIKeyFDSUFYDTJRZGJN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.62
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide

N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 74236438) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID74236438
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NCCCn2ccnc2)cn1
InChIInChI=1S/C14H19N5O/c1-11(2)13-17-8-12(9-18-13)14(20)16-4-3-6-19-7-5-15-10-19/h5,7-11H,3-4,6H2,1-2H3,(H,16,20)
InChIKeyFDSUFYDTJRZGJN-UHFFFAOYSA-N
XLogP1.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide (CID 74236438) is N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide is CC(C)c1ncc(C(=O)NCCCn2ccnc2)cn1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is FDSUFYDTJRZGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(2)13-17-8-12(9-18-13)14(20)16-4-3-6-19-7-5-15-10-19/h5,7-11H,3-4,6H2,1-2H3,(H,16,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 74236438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).