N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C10H13N3OS — CID 107590325

IUPACN-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)Nc1cncnc1
InChIInChI=1S/C10H13N3OS/c14-9(3-10(6-15)1-2-10)13-8-4-11-7-12-5-8/h4-5,7,15H,1-3,6H2,(H,13,14)
InChIKeyCQGVFWRDECDZHU-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.52
Rot. Bonds4

About N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107590325) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107590325
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)Nc1cncnc1
InChIInChI=1S/C10H13N3OS/c14-9(3-10(6-15)1-2-10)13-8-4-11-7-12-5-8/h4-5,7,15H,1-3,6H2,(H,13,14)
InChIKeyCQGVFWRDECDZHU-UHFFFAOYSA-N
XLogP1.52
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021050
2-(1-aminocyclopentyl)-N-pyrimidin-5-ylacetamide
CID 107588451
2-bromo-N-pyrimidin-5-ylacetamide
CID 107588365
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 107587535
4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]benzamide
CID 107020469
1-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 107587527
2-[1-(sulfanylmethyl)cyclopropyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 107020407
N-[4-(diethylamino)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107029422
N-(3-iodophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107022124
2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 107035938
N-(3-bromo-4-fluorophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107034985
2-[1-(sulfanylmethyl)cyclopropyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 107020504

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107590325) is N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is O=C(CC1(CS)CC1)Nc1cncnc1.
What is the InChIKey of N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is CQGVFWRDECDZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c14-9(3-10(6-15)1-2-10)13-8-4-11-7-12-5-8/h4-5,7,15H,1-3,6H2,(H,13,14).
What are the key properties of N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 223.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107590325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).