4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine

C12H14N4 — CID 102970197

IUPAC4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine
SMILESCC1CCc2[nH]c(-c3ccnc(N)c3)nc21
InChIInChI=1S/C12H14N4/c1-7-2-3-9-11(7)16-12(15-9)8-4-5-14-10(13)6-8/h4-7H,2-3H2,1H3,(H2,13,14)(H,15,16)
InChIKeyPMJUBKCUIHKSJM-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.10
Rot. Bonds1

About 4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine

4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine (PubChem CID 102970197) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine
PubChem CID102970197
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine
SMILESCC1CCc2[nH]c(-c3ccnc(N)c3)nc21
InChIInChI=1S/C12H14N4/c1-7-2-3-9-11(7)16-12(15-9)8-4-5-14-10(13)6-8/h4-7H,2-3H2,1H3,(H2,13,14)(H,15,16)
InChIKeyPMJUBKCUIHKSJM-UHFFFAOYSA-N
XLogP2.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine?
The IUPAC name of 4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine (CID 102970197) is 4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine is CC1CCc2[nH]c(-c3ccnc(N)c3)nc21.
What is the InChIKey of 4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine?
The InChIKey is PMJUBKCUIHKSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-7-2-3-9-11(7)16-12(15-9)8-4-5-14-10(13)6-8/h4-7H,2-3H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine?
4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine has a molecular weight of 214.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 102970197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).