N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine

C20H23N5 — CID 75257204

IUPACN-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine
SMILESCN(Cc1cnc(-c2ccc3ccccc3c2)nc1)CC1CCNN1
InChIInChI=1S/C20H23N5/c1-25(14-19-8-9-23-24-19)13-15-11-21-20(22-12-15)18-7-6-16-4-2-3-5-17(16)10-18/h2-7,10-12,19,23-24H,8-9,13-14H2,1H3
InChIKeyCTFAERVOQPQZLM-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.60
Rot. Bonds5

About N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine

N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine (PubChem CID 75257204) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine
PubChem CID75257204
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC NameN-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine
SMILESCN(Cc1cnc(-c2ccc3ccccc3c2)nc1)CC1CCNN1
InChIInChI=1S/C20H23N5/c1-25(14-19-8-9-23-24-19)13-15-11-21-20(22-12-15)18-7-6-16-4-2-3-5-17(16)10-18/h2-7,10-12,19,23-24H,8-9,13-14H2,1H3
InChIKeyCTFAERVOQPQZLM-UHFFFAOYSA-N
XLogP2.60
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine?
The IUPAC name of N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine (CID 75257204) is N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine?
The canonical SMILES for N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine is CN(Cc1cnc(-c2ccc3ccccc3c2)nc1)CC1CCNN1.
What is the InChIKey of N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine?
The InChIKey is CTFAERVOQPQZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-25(14-19-8-9-23-24-19)13-15-11-21-20(22-12-15)18-7-6-16-4-2-3-5-17(16)10-18/h2-7,10-12,19,23-24H,8-9,13-14H2,1H3.
What are the key properties of N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine?
N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine has a molecular weight of 333.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]-1-pyrazolidin-3-ylmethanamine is sourced from PubChem (CID 75257204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).