N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine

C25H33N5 — CID 69082132

IUPACN,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine
SMILESCCCN(C)CCN(C)[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C25H33N5/c1-4-14-28(2)16-17-29(3)23-12-15-30(19-23)25-26-13-11-24(27-25)22-10-9-20-7-5-6-8-21(20)18-22/h5-11,13,18,23H,4,12,14-17,19H2,1-3H3/t23-/m1/s1
InChIKeyDNJBKHHCCKSWNK-HSZRJFAPSA-N
MW403.57 g/mol
LogP4.15
Rot. Bonds8

About N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine

N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine (PubChem CID 69082132) has the molecular formula C25H33N5 and a molecular weight of 403.57 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine
PubChem CID69082132
Molecular FormulaC25H33N5
Molecular Weight403.57 g/mol
Exact Mass403.27
IUPAC NameN,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine
SMILESCCCN(C)CCN(C)[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C25H33N5/c1-4-14-28(2)16-17-29(3)23-12-15-30(19-23)25-26-13-11-24(27-25)22-10-9-20-7-5-6-8-21(20)18-22/h5-11,13,18,23H,4,12,14-17,19H2,1-3H3/t23-/m1/s1
InChIKeyDNJBKHHCCKSWNK-HSZRJFAPSA-N
XLogP4.15
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine 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,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine (CID 69082132) is N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine is CCCN(C)CCN(C)[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1.
What is the InChIKey of N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine?
The InChIKey is DNJBKHHCCKSWNK-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H33N5/c1-4-14-28(2)16-17-29(3)23-12-15-30(19-23)25-26-13-11-24(27-25)22-10-9-20-7-5-6-8-21(20)18-22/h5-11,13,18,23H,4,12,14-17,19H2,1-3H3/t23-/m1/s1.
What are the key properties of N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine?
N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine has a molecular weight of 403.57 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine is sourced from PubChem (CID 69082132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).