1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid

C16H23N3O2 — CID 115443605

IUPAC1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(CNc2ncnc3c2CCC3)CCCCCC1
InChIInChI=1S/C16H23N3O2/c20-15(21)16(8-3-1-2-4-9-16)10-17-14-12-6-5-7-13(12)18-11-19-14/h11H,1-10H2,(H,20,21)(H,17,18,19)
InChIKeyLJXQNDIMYSYYBZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.80
Rot. Bonds4

About 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid

1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid (PubChem CID 115443605) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid
PubChem CID115443605
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(CNc2ncnc3c2CCC3)CCCCCC1
InChIInChI=1S/C16H23N3O2/c20-15(21)16(8-3-1-2-4-9-16)10-17-14-12-6-5-7-13(12)18-11-19-14/h11H,1-10H2,(H,20,21)(H,17,18,19)
InChIKeyLJXQNDIMYSYYBZ-UHFFFAOYSA-N
XLogP2.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid with MolForge

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Related Compounds

4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid
CID 115438767
[1-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360733
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid
CID 64702556
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
CID 62833489
N-[[1-(dimethylamino)cyclopentyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 115328541
N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103736761
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114757776
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol
CID 62833166
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate
CID 62832047
N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 113259136
1-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309667
3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol
CID 107269634

Frequently Asked Questions

What is the IUPAC name of 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid (CID 115443605) is 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid is O=C(O)C1(CNc2ncnc3c2CCC3)CCCCCC1.
What is the InChIKey of 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid?
The InChIKey is LJXQNDIMYSYYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15(21)16(8-3-1-2-4-9-16)10-17-14-12-6-5-7-13(12)18-11-19-14/h11H,1-10H2,(H,20,21)(H,17,18,19).
What are the key properties of 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid?
1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 115443605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).