N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide

C12H13N3O — CID 143320733

IUPACN-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide
SMILESC#C/C(=C/C)c1c(C)ncnc1NC(C)=O
InChIInChI=1S/C12H13N3O/c1-5-10(6-2)11-8(3)13-7-14-12(11)15-9(4)16/h1,6-7H,2-4H3,(H,13,14,15,16)/b10-6-
InChIKeyFIYZOXAVDXYFNS-POHAHGRESA-N
MW215.26 g/mol
LogP1.78
Rot. Bonds2

About N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide

N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide (PubChem CID 143320733) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide
PubChem CID143320733
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide
SMILESC#C/C(=C/C)c1c(C)ncnc1NC(C)=O
InChIInChI=1S/C12H13N3O/c1-5-10(6-2)11-8(3)13-7-14-12(11)15-9(4)16/h1,6-7H,2-4H3,(H,13,14,15,16)/b10-6-
InChIKeyFIYZOXAVDXYFNS-POHAHGRESA-N
XLogP1.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methyl-5-propylpyrimidin-4-yl)acetamide
CID 90706989
ethane;N-(5-methylpyrimidin-4-yl)acetamide
CID 144640649
6-acetamido-5-fluoropyrimidine-4-carboxylic acid
CID 167727873
N-(4-acetamidopyrimidin-5-yl)acetamide
CID 130007487
N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
CID 110864422
N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide
CID 143245803
sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane
CID 144874588
N-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
CID 110864249
N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide
CID 141390191
2-[(5,6-dimethylpyrimidin-4-yl)amino]acetic acid
CID 83619945
4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 110848394
4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide
CID 130718969

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide (CID 143320733) is N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide is C#C/C(=C/C)c1c(C)ncnc1NC(C)=O.
What is the InChIKey of N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide?
The InChIKey is FIYZOXAVDXYFNS-POHAHGRESA-N. The full InChI is InChI=1S/C12H13N3O/c1-5-10(6-2)11-8(3)13-7-14-12(11)15-9(4)16/h1,6-7H,2-4H3,(H,13,14,15,16)/b10-6-.
What are the key properties of N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide?
N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide has a molecular weight of 215.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[(Z)-pent-3-en-1-yn-3-yl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 143320733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).