4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine

C14H21N3O — CID 80883520

IUPAC4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine
SMILESCC1(C)C2CCC1(C)C(Oc1ccnc(N)n1)C2
InChIInChI=1S/C14H21N3O/c1-13(2)9-4-6-14(13,3)10(8-9)18-11-5-7-16-12(15)17-11/h5,7,9-10H,4,6,8H2,1-3H3,(H2,15,16,17)
InChIKeyPIJIPKMYSTXWOJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.65
Rot. Bonds2

About 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine

4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine (PubChem CID 80883520) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine
PubChem CID80883520
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine
SMILESCC1(C)C2CCC1(C)C(Oc1ccnc(N)n1)C2
InChIInChI=1S/C14H21N3O/c1-13(2)9-4-6-14(13,3)10(8-9)18-11-5-7-16-12(15)17-11/h5,7,9-10H,4,6,8H2,1-3H3,(H2,15,16,17)
InChIKeyPIJIPKMYSTXWOJ-UHFFFAOYSA-N
XLogP2.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine
CID 80883318
(1S,2S,4R)-1,7,7-trimethyl-2-[4-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenoxy]bicyclo[2.2.1]heptane
CID 6581459
(1S,2S,4S)-1,7,7-trimethyl-2-[4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenoxy]bicyclo[2.2.1]heptane
CID 99978546
2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine
CID 102067199
2-methyl-6-[6-[6-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-2-pyridinyl]-2-pyridinyl]pyridine
CID 139153595
4-cyclopropyloxypyrimidin-2-amine
CID 163297972
4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine
CID 105383886
4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenol
CID 933415
4-cyclopentyloxypyrimidin-2-amine
CID 80861271
4-(3,5-dimethylcyclohexyl)oxypyrimidin-2-amine
CID 80878316
5-chloro-4-(chloromethyl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine
CID 114921331
N-[[5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrazin-2-yl]methyl]ethanamine
CID 107382313

Frequently Asked Questions

What is the IUPAC name of 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine?
The IUPAC name of 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine (CID 80883520) is 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine.
What is the SMILES notation for 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine?
The canonical SMILES for 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine is CC1(C)C2CCC1(C)C(Oc1ccnc(N)n1)C2.
What is the InChIKey of 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine?
The InChIKey is PIJIPKMYSTXWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-13(2)9-4-6-14(13,3)10(8-9)18-11-5-7-16-12(15)17-11/h5,7,9-10H,4,6,8H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine?
4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyrimidin-2-amine is sourced from PubChem (CID 80883520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).