N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C21H23N5 — CID 166219815

IUPACN-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCN(C)c1ccccc1CNc1nc(-c2cccnc2)nc2c1CCC2
InChIInChI=1S/C21H23N5/c1-26(2)19-11-4-3-7-15(19)14-23-21-17-9-5-10-18(17)24-20(25-21)16-8-6-12-22-13-16/h3-4,6-8,11-13H,5,9-10,14H2,1-2H3,(H,23,24,25)
InChIKeyBGAZWKKAGJHVIB-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.71
Rot. Bonds5

About N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 166219815) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID166219815
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC NameN-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCN(C)c1ccccc1CNc1nc(-c2cccnc2)nc2c1CCC2
InChIInChI=1S/C21H23N5/c1-26(2)19-11-4-3-7-15(19)14-23-21-17-9-5-10-18(17)24-20(25-21)16-8-6-12-22-13-16/h3-4,6-8,11-13H,5,9-10,14H2,1-2H3,(H,23,24,25)
InChIKeyBGAZWKKAGJHVIB-UHFFFAOYSA-N
XLogP3.71
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 166219815) is N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CN(C)c1ccccc1CNc1nc(-c2cccnc2)nc2c1CCC2.
What is the InChIKey of N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is BGAZWKKAGJHVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-26(2)19-11-4-3-7-15(19)14-23-21-17-9-5-10-18(17)24-20(25-21)16-8-6-12-22-13-16/h3-4,6-8,11-13H,5,9-10,14H2,1-2H3,(H,23,24,25).
What are the key properties of N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 345.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 166219815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).