N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine

C17H23N5 — CID 112909455

IUPACN,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1cc(N(C)CCc2ccncc2)nc(N2CCCC2)n1
InChIInChI=1S/C17H23N5/c1-14-13-16(20-17(19-14)22-10-3-4-11-22)21(2)12-7-15-5-8-18-9-6-15/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3
InChIKeyPQZFRRNNFOTUPX-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.46
Rot. Bonds5

About N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine

N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112909455) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112909455
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1cc(N(C)CCc2ccncc2)nc(N2CCCC2)n1
InChIInChI=1S/C17H23N5/c1-14-13-16(20-17(19-14)22-10-3-4-11-22)21(2)12-7-15-5-8-18-9-6-15/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3
InChIKeyPQZFRRNNFOTUPX-UHFFFAOYSA-N
XLogP2.46
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 112909455) is N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine is Cc1cc(N(C)CCc2ccncc2)nc(N2CCCC2)n1.
What is the InChIKey of N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is PQZFRRNNFOTUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-14-13-16(20-17(19-14)22-10-3-4-11-22)21(2)12-7-15-5-8-18-9-6-15/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3.
What are the key properties of N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine?
N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112909455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).