cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide

C14H16N4O2 — CID 94215656

IUPACcis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)[C@H]2C[C@H]2c2ccco2)n1
InChIInChI=1S/C14H16N4O2/c1-8-6-9(2)16-14(15-8)18-17-13(19)11-7-10(11)12-4-3-5-20-12/h3-6,10-11H,7H2,1-2H3,(H,17,19)(H,15,16,18)/t10-,11+/m1/s1
InChIKeyDNZNBYFNDOAHON-MNOVXSKESA-N
MW272.31 g/mol
LogP1.93
Rot. Bonds4

About cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide

cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide (PubChem CID 94215656) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Namecis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide
PubChem CID94215656
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Namecis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)[C@H]2C[C@H]2c2ccco2)n1
InChIInChI=1S/C14H16N4O2/c1-8-6-9(2)16-14(15-8)18-17-13(19)11-7-10(11)12-4-3-5-20-12/h3-6,10-11H,7H2,1-2H3,(H,17,19)(H,15,16,18)/t10-,11+/m1/s1
InChIKeyDNZNBYFNDOAHON-MNOVXSKESA-N
XLogP1.93
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.93
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

cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 97004714
N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 71899915
N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449977
N-(4-chloro-2-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449751
cyclopropyl-[2-(furan-2-yl)cyclopropyl]methanone
CID 549488
N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851825
cis-(1R,2S)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide
CID 95161414
trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfonylphenyl)sulfonylcyclopropane-1-carboxamide
CID 95589094
N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47450059
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 75405611
trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 97018748
trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 97018747

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide?
The IUPAC name of cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide (CID 94215656) is cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide.
What is the SMILES notation for cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide?
The canonical SMILES for cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide is Cc1cc(C)nc(NNC(=O)[C@H]2C[C@H]2c2ccco2)n1.
What is the InChIKey of cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide?
The InChIKey is DNZNBYFNDOAHON-MNOVXSKESA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-6-9(2)16-14(15-8)18-17-13(19)11-7-10(11)12-4-3-5-20-12/h3-6,10-11H,7H2,1-2H3,(H,17,19)(H,15,16,18)/t10-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide?
cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide has a molecular weight of 272.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N'-(4,6-dimethylpyrimidin-2-yl)-2-(furan-2-yl)cyclopropane-1-carbohydrazide is sourced from PubChem (CID 94215656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).