N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

C16H24N8O — CID 125431329

IUPACN-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cnnn2)CCCCC1)NCCNc1ncccn1
InChIInChI=1S/C16H24N8O/c25-14(17-9-10-20-15-18-7-4-8-19-15)11-16(5-2-1-3-6-16)12-24-13-21-22-23-24/h4,7-8,13H,1-3,5-6,9-12H2,(H,17,25)(H,18,19,20)
InChIKeyXHCXNDSWOVBDCC-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.03
Rot. Bonds8

About N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 125431329) has the molecular formula C16H24N8O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID125431329
Molecular FormulaC16H24N8O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC NameN-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cnnn2)CCCCC1)NCCNc1ncccn1
InChIInChI=1S/C16H24N8O/c25-14(17-9-10-20-15-18-7-4-8-19-15)11-16(5-2-1-3-6-16)12-24-13-21-22-23-24/h4,7-8,13H,1-3,5-6,9-12H2,(H,17,25)(H,18,19,20)
InChIKeyXHCXNDSWOVBDCC-UHFFFAOYSA-N
XLogP1.03
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 125431329) is N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is O=C(CC1(Cn2cnnn2)CCCCC1)NCCNc1ncccn1.
What is the InChIKey of N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is XHCXNDSWOVBDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8O/c25-14(17-9-10-20-15-18-7-4-8-19-15)11-16(5-2-1-3-6-16)12-24-13-21-22-23-24/h4,7-8,13H,1-3,5-6,9-12H2,(H,17,25)(H,18,19,20).
What are the key properties of N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 125431329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).