2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid

C15H21N3O2 — CID 64702556

IUPAC2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(Nc2ncnc3c2CCC3)CCCCC1
InChIInChI=1S/C15H21N3O2/c19-13(20)9-15(7-2-1-3-8-15)18-14-11-5-4-6-12(11)16-10-17-14/h10H,1-9H2,(H,19,20)(H,16,17,18)
InChIKeyUMYCTVWZHNETSJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.55
Rot. Bonds4

About 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid

2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid (PubChem CID 64702556) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid
PubChem CID64702556
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(Nc2ncnc3c2CCC3)CCCCC1
InChIInChI=1S/C15H21N3O2/c19-13(20)9-15(7-2-1-3-8-15)18-14-11-5-4-6-12(11)16-10-17-14/h10H,1-9H2,(H,19,20)(H,16,17,18)
InChIKeyUMYCTVWZHNETSJ-UHFFFAOYSA-N
XLogP2.55
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid (CID 64702556) is 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid is O=C(O)CC1(Nc2ncnc3c2CCC3)CCCCC1.
What is the InChIKey of 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid?
The InChIKey is UMYCTVWZHNETSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-13(20)9-15(7-2-1-3-8-15)18-14-11-5-4-6-12(11)16-10-17-14/h10H,1-9H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid?
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64702556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).