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

C14H19N3O3 — CID 115438767

IUPAC4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(CNc2ncnc3c2CCC3)CCOCC1
InChIInChI=1S/C14H19N3O3/c18-13(19)14(4-6-20-7-5-14)8-15-12-10-2-1-3-11(10)16-9-17-12/h9H,1-8H2,(H,18,19)(H,15,16,17)
InChIKeyHLYJFKFIBCJLLD-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.26
Rot. Bonds4

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

4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid (PubChem CID 115438767) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid
PubChem CID115438767
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid
SMILESO=C(O)C1(CNc2ncnc3c2CCC3)CCOCC1
InChIInChI=1S/C14H19N3O3/c18-13(19)14(4-6-20-7-5-14)8-15-12-10-2-1-3-11(10)16-9-17-12/h9H,1-8H2,(H,18,19)(H,15,16,17)
InChIKeyHLYJFKFIBCJLLD-UHFFFAOYSA-N
XLogP1.26
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443605
[1-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360733
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
CID 62833489
3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-methyloxolan-3-ol
CID 107269634
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
N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 113259136
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate
CID 62832047
[(4R,8aS)-4-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]-1,3,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-4-yl]methanol
CID 146142776
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclohexyl]acetic acid
CID 64702556
N-[[4-(dimethylamino)oxan-4-yl]methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;dihydrochloride
CID 154894671
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)cyclopentyl]methanol
CID 62833166

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid (CID 115438767) is 4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid is O=C(O)C1(CNc2ncnc3c2CCC3)CCOCC1.
What is the InChIKey of 4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid?
The InChIKey is HLYJFKFIBCJLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(19)14(4-6-20-7-5-14)8-15-12-10-2-1-3-11(10)16-9-17-12/h9H,1-8H2,(H,18,19)(H,15,16,17).
What are the key properties of 4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid?
4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115438767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).