1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine

C17H20N4 — CID 116650402

IUPAC1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESNc1ccc2c(c1)CCCC2Nc1ncnc2c1CCC2
InChIInChI=1S/C17H20N4/c18-12-7-8-13-11(9-12)3-1-6-16(13)21-17-14-4-2-5-15(14)19-10-20-17/h7-10,16H,1-6,18H2,(H,19,20,21)
InChIKeyRGUBKMLKNUFOJF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.04
Rot. Bonds2

About 1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine

1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine (PubChem CID 116650402) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
PubChem CID116650402
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESNc1ccc2c(c1)CCCC2Nc1ncnc2c1CCC2
InChIInChI=1S/C17H20N4/c18-12-7-8-13-11(9-12)3-1-6-16(13)21-17-14-4-2-5-15(14)19-10-20-17/h7-10,16H,1-6,18H2,(H,19,20,21)
InChIKeyRGUBKMLKNUFOJF-UHFFFAOYSA-N
XLogP3.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650383
1-N-(5-chloropyrimidin-2-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650411
5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 165086739
2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbenzonitrile
CID 107111498
1-N-(4-bromo-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650283
1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 106660945
2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114770250
1-N-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650362
1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650350
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine
CID 65336937
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,6-diamine
CID 64588910
1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79742028

Frequently Asked Questions

What is the IUPAC name of 1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The IUPAC name of 1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine (CID 116650402) is 1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine.
What is the SMILES notation for 1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The canonical SMILES for 1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine is Nc1ccc2c(c1)CCCC2Nc1ncnc2c1CCC2.
What is the InChIKey of 1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The InChIKey is RGUBKMLKNUFOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c18-12-7-8-13-11(9-12)3-1-6-16(13)21-17-14-4-2-5-15(14)19-10-20-17/h7-10,16H,1-6,18H2,(H,19,20,21).
What are the key properties of 1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine has a molecular weight of 280.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine is sourced from PubChem (CID 116650402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).