N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C19H22N4 — CID 146140584

IUPACN-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(CN2C[C@@H]3C(Nc4ncnc5c4CCC5)[C@@H]3C2)cc1
InChIInChI=1S/C19H22N4/c1-2-5-13(6-3-1)9-23-10-15-16(11-23)18(15)22-19-14-7-4-8-17(14)20-12-21-19/h1-3,5-6,12,15-16,18H,4,7-11H2,(H,20,21,22)/t15-,16+,18?
InChIKeyXGFYLOXTLZBYJO-BYICEURKSA-N
MW306.41 g/mol
LogP2.51
Rot. Bonds4

About N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 146140584) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID146140584
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1ccc(CN2C[C@@H]3C(Nc4ncnc5c4CCC5)[C@@H]3C2)cc1
InChIInChI=1S/C19H22N4/c1-2-5-13(6-3-1)9-23-10-15-16(11-23)18(15)22-19-14-7-4-8-17(14)20-12-21-19/h1-3,5-6,12,15-16,18H,4,7-11H2,(H,20,21,22)/t15-,16+,18?
InChIKeyXGFYLOXTLZBYJO-BYICEURKSA-N
XLogP2.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121312
2-N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]benzene-1,2-diamine
CID 59075574
N-[(3R)-1-benzylpyrrolidin-3-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9109166
1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine
CID 80505450
3-benzyl-N-(5-iodopyrimidin-4-yl)-3-azabicyclo[3.1.1]heptan-6-amine
CID 130916033
N-(2-chlorocyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65029507
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 167749832
3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 130855630
[(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 95111508
N-(3-phenoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832621
3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane
CID 131227646
N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62833504

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 146140584) is N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is c1ccc(CN2C[C@@H]3C(Nc4ncnc5c4CCC5)[C@@H]3C2)cc1.
What is the InChIKey of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is XGFYLOXTLZBYJO-BYICEURKSA-N. The full InChI is InChI=1S/C19H22N4/c1-2-5-13(6-3-1)9-23-10-15-16(11-23)18(15)22-19-14-7-4-8-17(14)20-12-21-19/h1-3,5-6,12,15-16,18H,4,7-11H2,(H,20,21,22)/t15-,16+,18?.
What are the key properties of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 306.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 146140584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).