N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine

C18H21N3 — CID 65403690

IUPACN-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CCC(c1ncc(CNC3CC3)cn1)C2
InChIInChI=1S/C18H21N3/c1-2-4-15-9-16(6-5-14(15)3-1)18-20-11-13(12-21-18)10-19-17-7-8-17/h1-4,11-12,16-17,19H,5-10H2
InChIKeyRSUHUAASAKYOBG-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.00
Rot. Bonds4

About N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 65403690) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID65403690
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CCC(c1ncc(CNC3CC3)cn1)C2
InChIInChI=1S/C18H21N3/c1-2-4-15-9-16(6-5-14(15)3-1)18-20-11-13(12-21-18)10-19-17-7-8-17/h1-4,11-12,16-17,19H,5-10H2
InChIKeyRSUHUAASAKYOBG-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 65403690) is N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine is c1ccc2c(c1)CCC(c1ncc(CNC3CC3)cn1)C2.
What is the InChIKey of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is RSUHUAASAKYOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-4-15-9-16(6-5-14(15)3-1)18-20-11-13(12-21-18)10-19-17-7-8-17/h1-4,11-12,16-17,19H,5-10H2.
What are the key properties of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 279.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65403690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).