N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide

C20H35N5 — CID 58097743

IUPACN,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide
SMILESC1CCC(/N=C(\NC2CCCCC2)N2CCCN3CCCN=C32)CC1
InChIInChI=1S/C20H35N5/c1-3-9-17(10-4-1)22-19(23-18-11-5-2-6-12-18)25-16-8-15-24-14-7-13-21-20(24)25/h17-18H,1-16H2,(H,22,23)
InChIKeySSZYMHGOBFBYIT-UHFFFAOYSA-N
MW345.54 g/mol
LogP3.36
Rot. Bonds2

About N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide

N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide (PubChem CID 58097743) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide.

Molecular Properties

Compound NameN,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide
PubChem CID58097743
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC NameN,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide
SMILESC1CCC(/N=C(\NC2CCCCC2)N2CCCN3CCCN=C32)CC1
InChIInChI=1S/C20H35N5/c1-3-9-17(10-4-1)22-19(23-18-11-5-2-6-12-18)25-16-8-15-24-14-7-13-21-20(24)25/h17-18H,1-16H2,(H,22,23)
InChIKeySSZYMHGOBFBYIT-UHFFFAOYSA-N
XLogP3.36
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide?
The IUPAC name of N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide (CID 58097743) is N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide.
What is the SMILES notation for N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide?
The canonical SMILES for N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide is C1CCC(/N=C(\NC2CCCCC2)N2CCCN3CCCN=C32)CC1.
What is the InChIKey of N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide?
The InChIKey is SSZYMHGOBFBYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-3-9-17(10-4-1)22-19(23-18-11-5-2-6-12-18)25-16-8-15-24-14-7-13-21-20(24)25/h17-18H,1-16H2,(H,22,23).
What are the key properties of N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide?
N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide has a molecular weight of 345.54 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine-1-carboximidamide is sourced from PubChem (CID 58097743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).