2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine

C14H14N2 — CID 68856082

IUPAC2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine
SMILESc1cnc([C@H]2CCc3ccccc3C2)nc1
InChIInChI=1S/C14H14N2/c1-2-5-12-10-13(7-6-11(12)4-1)14-15-8-3-9-16-14/h1-5,8-9,13H,6-7,10H2/t13-/m0/s1
InChIKeyUNKIUZVETLHEGV-ZDUSSCGKSA-N
MW210.28 g/mol
LogP2.75
Rot. Bonds1

About 2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine

2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine (PubChem CID 68856082) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine.

Molecular Properties

Compound Name2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine
PubChem CID68856082
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine
SMILESc1cnc([C@H]2CCc3ccccc3C2)nc1
InChIInChI=1S/C14H14N2/c1-2-5-12-10-13(7-6-11(12)4-1)14-15-8-3-9-16-14/h1-5,8-9,13H,6-7,10H2/t13-/m0/s1
InChIKeyUNKIUZVETLHEGV-ZDUSSCGKSA-N
XLogP2.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 65403467
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65405051
2-(1,2,3,4,5,6-hexahydrochrysen-2-yl)pyrimidine
CID 174535292
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65403690
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65403880
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65406026
2-(1,2,3,4-tetrahydrochrysen-2-yl)pyrimidine
CID 174258210
2-(1,2,3,4-tetrahydrochrysen-3-yl)pyrimidine
CID 174362527
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one
CID 65406952
(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104881220
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192959
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole
CID 11448029

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine?
The IUPAC name of 2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine (CID 68856082) is 2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine.
What is the SMILES notation for 2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine?
The canonical SMILES for 2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine is c1cnc([C@H]2CCc3ccccc3C2)nc1.
What is the InChIKey of 2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine?
The InChIKey is UNKIUZVETLHEGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-5-12-10-13(7-6-11(12)4-1)14-15-8-3-9-16-14/h1-5,8-9,13H,6-7,10H2/t13-/m0/s1.
What are the key properties of 2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine?
2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine has a molecular weight of 210.28 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine is sourced from PubChem (CID 68856082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).