1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide

C20H33IN6 — CID 119161997

IUPAC1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
SMILESC/N=C(/NC1CCCN(c2ncccn2)C1)NC1CC1C1CCCCC1.I
InChIInChI=1S/C20H32N6.HI/c1-21-19(25-18-13-17(18)15-7-3-2-4-8-15)24-16-9-5-12-26(14-16)20-22-10-6-11-23-20;/h6,10-11,15-18H,2-5,7-9,12-14H2,1H3,(H2,21,24,25);1H
InChIKeyYQBALCWNACQHBR-UHFFFAOYSA-N
MW484.43 g/mol
LogP3.20
Rot. Bonds4

About 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide

1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide (PubChem CID 119161997) has the molecular formula C20H33IN6 and a molecular weight of 484.43 g/mol. Its IUPAC name is 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
PubChem CID119161997
Molecular FormulaC20H33IN6
Molecular Weight484.43 g/mol
Exact Mass484.18
IUPAC Name1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
SMILESC/N=C(/NC1CCCN(c2ncccn2)C1)NC1CC1C1CCCCC1.I
InChIInChI=1S/C20H32N6.HI/c1-21-19(25-18-13-17(18)15-7-3-2-4-8-15)24-16-9-5-12-26(14-16)20-22-10-6-11-23-20;/h6,10-11,15-18H,2-5,7-9,12-14H2,1H3,(H2,21,24,25);1H
InChIKeyYQBALCWNACQHBR-UHFFFAOYSA-N
XLogP3.20
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
CID 119153839
1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine
CID 119146241
1-(2-cyclohexylcyclopropyl)-2-methyl-3-(oxan-4-yl)guanidine;hydroiodide
CID 119161927
1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
CID 119161993
N-cyclohexyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728828
1-(2-cyclohexylcyclopropyl)-3-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylguanidine
CID 119161942
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
4-acetyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,4-diazepane-1-carboxamide
CID 94031653
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide?
The IUPAC name of 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide (CID 119161997) is 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide is C/N=C(/NC1CCCN(c2ncccn2)C1)NC1CC1C1CCCCC1.I.
What is the InChIKey of 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide?
The InChIKey is YQBALCWNACQHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6.HI/c1-21-19(25-18-13-17(18)15-7-3-2-4-8-15)24-16-9-5-12-26(14-16)20-22-10-6-11-23-20;/h6,10-11,15-18H,2-5,7-9,12-14H2,1H3,(H2,21,24,25);1H.
What are the key properties of 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide?
1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide has a molecular weight of 484.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylcyclopropyl)-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide is sourced from PubChem (CID 119161997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).