5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine

C22H38N6 — CID 144911690

IUPAC5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC1CCC(CN2CC(C#CCCCCCN3CCN=C3N)CN=C2N)CC1
InChIInChI=1S/C22H38N6/c1-18-8-10-19(11-9-18)16-28-17-20(15-26-22(28)24)7-5-3-2-4-6-13-27-14-12-25-21(27)23/h18-20H,2-4,6,8-17H2,1H3,(H2,23,25)(H2,24,26)
InChIKeyBYODDBFVKYGMIL-UHFFFAOYSA-N
MW386.59 g/mol
LogP2.25
Rot. Bonds7

About 5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine

5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 144911690) has the molecular formula C22H38N6 and a molecular weight of 386.59 g/mol. Its IUPAC name is 5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID144911690
Molecular FormulaC22H38N6
Molecular Weight386.59 g/mol
Exact Mass386.32
IUPAC Name5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC1CCC(CN2CC(C#CCCCCCN3CCN=C3N)CN=C2N)CC1
InChIInChI=1S/C22H38N6/c1-18-8-10-19(11-9-18)16-28-17-20(15-26-22(28)24)7-5-3-2-4-6-13-27-14-12-25-21(27)23/h18-20H,2-4,6,8-17H2,1H3,(H2,23,25)(H2,24,26)
InChIKeyBYODDBFVKYGMIL-UHFFFAOYSA-N
XLogP2.25
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine with MolForge

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Related Compounds

1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 79521586
1-decyl-4,5-dihydroimidazol-2-amine
CID 154199553
1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine;hydrobromide
CID 166161716
1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid
CID 161184867
1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane
CID 144911705
6-(4-methylcyclohexyl)hex-5-yn-1-ol
CID 140577326
1-(6-fluorohexyl)-2-methyl-4,5-dihydroimidazole
CID 11458123
1-methyl-N-[(4-methylcyclohexyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120970473
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
1-[(4-methylcyclohexyl)methyl]imidazolidin-2-one
CID 115370654
dodec-1-ynylcycloheptane
CID 11579803
5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 79521849

Frequently Asked Questions

What is the IUPAC name of 5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine (CID 144911690) is 5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine is CC1CCC(CN2CC(C#CCCCCCN3CCN=C3N)CN=C2N)CC1.
What is the InChIKey of 5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is BYODDBFVKYGMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N6/c1-18-8-10-19(11-9-18)16-28-17-20(15-26-22(28)24)7-5-3-2-4-6-13-27-14-12-25-21(27)23/h18-20H,2-4,6,8-17H2,1H3,(H2,23,25)(H2,24,26).
What are the key properties of 5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine?
5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 386.59 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(2-amino-4,5-dihydroimidazol-1-yl)hept-1-ynyl]-1-[(4-methylcyclohexyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 144911690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).