(4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate

C14H19N3O2 — CID 71913282

IUPAC(4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESNc1ncncc1COC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H19N3O2/c15-14-12(6-16-8-17-14)7-19-13(18)5-11-4-9-1-2-10(11)3-9/h6,8-11H,1-5,7H2,(H2,15,16,17)
InChIKeyBQCRNQOWYARYKB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.93
Rot. Bonds4

About (4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate

(4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 71913282) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name(4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID71913282
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESNc1ncncc1COC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H19N3O2/c15-14-12(6-16-8-17-14)7-19-13(18)5-11-4-9-1-2-10(11)3-9/h6,8-11H,1-5,7H2,(H2,15,16,17)
InChIKeyBQCRNQOWYARYKB-UHFFFAOYSA-N
XLogP1.93
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7H-purin-8-ylmethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 119039946
[4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxymethyl]phenyl]methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23850335
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11923520
(6-bromo-1,3-benzodioxol-5-yl)methyl 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18555273
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932885
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174582
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11937894
propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 43389559
(1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 55397357
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 21174462
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11930640

Frequently Asked Questions

What is the IUPAC name of (4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of (4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 71913282) is (4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for (4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for (4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate is Nc1ncncc1COC(=O)CC1CC2CCC1C2.
What is the InChIKey of (4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is BQCRNQOWYARYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-14-12(6-16-8-17-14)7-19-13(18)5-11-4-9-1-2-10(11)3-9/h6,8-11H,1-5,7H2,(H2,15,16,17).
What are the key properties of (4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
(4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 261.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopyrimidin-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 71913282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).