N-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide

C15H19N5O — CID 135516407

IUPACN-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide
SMILESCCC(=O)N/C(N)=N/c1nc(C)c2cc(C)c(C)cc2n1
InChIInChI=1S/C15H19N5O/c1-5-13(21)19-14(16)20-15-17-10(4)11-6-8(2)9(3)7-12(11)18-15/h6-7H,5H2,1-4H3,(H3,16,17,18,19,20,21)
InChIKeyYDKSHHRXNDNKDE-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.03
Rot. Bonds2

About N-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide

N-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide (PubChem CID 135516407) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide.

Molecular Properties

Compound NameN-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide
PubChem CID135516407
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide
SMILESCCC(=O)N/C(N)=N/c1nc(C)c2cc(C)c(C)cc2n1
InChIInChI=1S/C15H19N5O/c1-5-13(21)19-14(16)20-15-17-10(4)11-6-8(2)9(3)7-12(11)18-15/h6-7H,5H2,1-4H3,(H3,16,17,18,19,20,21)
InChIKeyYDKSHHRXNDNKDE-UHFFFAOYSA-N
XLogP2.03
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide?
The IUPAC name of N-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide (CID 135516407) is N-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide.
What is the SMILES notation for N-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide?
The canonical SMILES for N-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide is CCC(=O)N/C(N)=N/c1nc(C)c2cc(C)c(C)cc2n1.
What is the InChIKey of N-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide?
The InChIKey is YDKSHHRXNDNKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-5-13(21)19-14(16)20-15-17-10(4)11-6-8(2)9(3)7-12(11)18-15/h6-7H,5H2,1-4H3,(H3,16,17,18,19,20,21).
What are the key properties of N-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide?
N-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]propanamide is sourced from PubChem (CID 135516407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).