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

C18H21N3 — CID 65405051

IUPACN-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CCC(c1nccc(CNC3CC3)n1)C2
InChIInChI=1S/C18H21N3/c1-2-4-14-11-15(6-5-13(14)3-1)18-19-10-9-17(21-18)12-20-16-7-8-16/h1-4,9-10,15-16,20H,5-8,11-12H2
InChIKeyVLRHMTRKNQGESK-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.00
Rot. Bonds4

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

N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 65405051) 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-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID65405051
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CCC(c1nccc(CNC3CC3)n1)C2
InChIInChI=1S/C18H21N3/c1-2-4-14-11-15(6-5-13(14)3-1)18-19-10-9-17(21-18)12-20-16-7-8-16/h1-4,9-10,15-16,20H,5-8,11-12H2
InChIKeyVLRHMTRKNQGESK-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-4-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

Related Compounds

4-(4-Phenylphenyl)pyrimidine
CID 817541
2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 25070582
(1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine
CID 25199517
(6s)-6-Phenyl-5,6-Dihydrobenzo[h]quinazolin-2-Amine
CID 51346202
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393180
2,5-Bis(4-aminophenyl)-pyrimidine
CID 652390
5,6-Dihydrobenzo[h]quinazolin-2-amine
CID 2763483
(3R,4R)-1-(6-phenylpyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 16203151
(3R,4S)-1-(6-phenylpyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 23647106
5-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide
CID 46225710
N-cyclohexyl-6-cyclopropyl-2-pyridin-2-ylpyrimidin-4-amine
CID 44522388
10-Phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine
CID 46838672

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine (CID 65405051) is N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine is c1ccc2c(c1)CCC(c1nccc(CNC3CC3)n1)C2.
What is the InChIKey of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is VLRHMTRKNQGESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-4-14-11-15(6-5-13(14)3-1)18-19-10-9-17(21-18)12-20-16-7-8-16/h1-4,9-10,15-16,20H,5-8,11-12H2.
What are the key properties of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-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-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65405051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).