N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide

C12H13N5O — CID 135543529

IUPACN-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
SMILESCC(=O)N/C(N)=N\c1nc(C)c2ccccc2n1
InChIInChI=1S/C12H13N5O/c1-7-9-5-3-4-6-10(9)16-12(14-7)17-11(13)15-8(2)18/h3-6H,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyRFIOQGIZEYSGJK-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.02
Rot. Bonds1

About N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide

N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide (PubChem CID 135543529) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
PubChem CID135543529
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
SMILESCC(=O)N/C(N)=N\c1nc(C)c2ccccc2n1
InChIInChI=1S/C12H13N5O/c1-7-9-5-3-4-6-10(9)16-12(14-7)17-11(13)15-8(2)18/h3-6H,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyRFIOQGIZEYSGJK-UHFFFAOYSA-N
XLogP1.02
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.02
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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Related Compounds

N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135436000
1-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135526918
1-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135444510
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135451367
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135506328
N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide
CID 174298249
2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 174298473
4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 174298479
4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 170701612
2-cyclopentyl-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 170701778
4-(dimethylamino)-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 170701640
(4-chlorophenyl) N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]carbamate
CID 135407557

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
The IUPAC name of N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide (CID 135543529) is N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide.
What is the SMILES notation for N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
The canonical SMILES for N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide is CC(=O)N/C(N)=N\c1nc(C)c2ccccc2n1.
What is the InChIKey of N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
The InChIKey is RFIOQGIZEYSGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-7-9-5-3-4-6-10(9)16-12(14-7)17-11(13)15-8(2)18/h3-6H,1-2H3,(H3,13,14,15,16,17,18).
What are the key properties of N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide?
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide has a molecular weight of 243.27 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide is sourced from PubChem (CID 135543529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).