N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide

C13H17N5O3 — CID 154860475

IUPACN'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide
SMILESO=C(NNC(=O)N1CCOCC1)c1ccnc(C2CC2)n1
InChIInChI=1S/C13H17N5O3/c19-12(10-3-4-14-11(15-10)9-1-2-9)16-17-13(20)18-5-7-21-8-6-18/h3-4,9H,1-2,5-8H2,(H,16,19)(H,17,20)
InChIKeyDYDFTVQDMNMMCX-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.04
Rot. Bonds2

About N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide

N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide (PubChem CID 154860475) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide
PubChem CID154860475
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide
SMILESO=C(NNC(=O)N1CCOCC1)c1ccnc(C2CC2)n1
InChIInChI=1S/C13H17N5O3/c19-12(10-3-4-14-11(15-10)9-1-2-9)16-17-13(20)18-5-7-21-8-6-18/h3-4,9H,1-2,5-8H2,(H,16,19)(H,17,20)
InChIKeyDYDFTVQDMNMMCX-UHFFFAOYSA-N
XLogP0.04
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-methylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71872859
(2-cyclopropylpyrimidin-4-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71872863
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone
CID 71872921
(2-cyclopropylpyrimidin-4-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 71872930
2-cyclopropyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrimidine-4-carboxamide
CID 71980130
(2-cyclopropylpyrimidin-4-yl)-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 72123389
(2-cyclopropylpyrimidin-4-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 72123555
N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 162650117
2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 47256757
4-[(2-Isopropylpyrimidin-4-yl)carbonyl]-2,2-dimethylmorpholine
CID 91828457
(2-cyclopropylpyrimidin-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 120108593
(2-cyclopropylpyrimidin-4-yl)-[(3S)-3-ethyl-3-methylmorpholin-4-yl]methanone
CID 164630523

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide?
The IUPAC name of N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide (CID 154860475) is N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide.
What is the SMILES notation for N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide?
The canonical SMILES for N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide is O=C(NNC(=O)N1CCOCC1)c1ccnc(C2CC2)n1.
What is the InChIKey of N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide?
The InChIKey is DYDFTVQDMNMMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c19-12(10-3-4-14-11(15-10)9-1-2-9)16-17-13(20)18-5-7-21-8-6-18/h3-4,9H,1-2,5-8H2,(H,16,19)(H,17,20).
What are the key properties of N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide?
N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide has a molecular weight of 291.31 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide is sourced from PubChem (CID 154860475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).