4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine

C14H15N3 — CID 70982416

IUPAC4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
SMILESNc1nccc(C2CCCc3ccccc32)n1
InChIInChI=1S/C14H15N3/c15-14-16-9-8-13(17-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12H,3,5,7H2,(H2,15,16,17)
InChIKeyDQOJOFOTTMGVSG-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.53
Rot. Bonds1

About 4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine

4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine (PubChem CID 70982416) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
PubChem CID70982416
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
SMILESNc1nccc(C2CCCc3ccccc32)n1
InChIInChI=1S/C14H15N3/c15-14-16-9-8-13(17-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12H,3,5,7H2,(H2,15,16,17)
InChIKeyDQOJOFOTTMGVSG-UHFFFAOYSA-N
XLogP2.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-bis[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-2,4-diamine
CID 68967026
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine
CID 55175289
2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
CID 140627468
2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62719692
4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
CID 19849908
7-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 63723162
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 62719628
5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine
CID 66821619
4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole
CID 151034122
[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine
CID 63250998
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
CID 65266685

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine (CID 70982416) is 4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine is Nc1nccc(C2CCCc3ccccc32)n1.
What is the InChIKey of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine?
The InChIKey is DQOJOFOTTMGVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-14-16-9-8-13(17-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12H,3,5,7H2,(H2,15,16,17).
What are the key properties of 4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine?
4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine has a molecular weight of 225.30 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 70982416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).