N,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine

C23H24N6 — CID 46974126

IUPACN,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine
SMILESCN(C)c1cc(CCNCc2cccc3cccnc23)nc(-c2ccccn2)n1
InChIInChI=1S/C23H24N6/c1-29(2)21-15-19(27-23(28-21)20-10-3-4-12-25-20)11-14-24-16-18-8-5-7-17-9-6-13-26-22(17)18/h3-10,12-13,15,24H,11,14,16H2,1-2H3
InChIKeySFKVLRIWSLLZNY-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.49
Rot. Bonds7

About N,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine

N,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine (PubChem CID 46974126) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is N,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine
PubChem CID46974126
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC NameN,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine
SMILESCN(C)c1cc(CCNCc2cccc3cccnc23)nc(-c2ccccn2)n1
InChIInChI=1S/C23H24N6/c1-29(2)21-15-19(27-23(28-21)20-10-3-4-12-25-20)11-14-24-16-18-8-5-7-17-9-6-13-26-22(17)18/h3-10,12-13,15,24H,11,14,16H2,1-2H3
InChIKeySFKVLRIWSLLZNY-UHFFFAOYSA-N
XLogP3.49
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine (CID 46974126) is N,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine is CN(C)c1cc(CCNCc2cccc3cccnc23)nc(-c2ccccn2)n1.
What is the InChIKey of N,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine?
The InChIKey is SFKVLRIWSLLZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-29(2)21-15-19(27-23(28-21)20-10-3-4-12-25-20)11-14-24-16-18-8-5-7-17-9-6-13-26-22(17)18/h3-10,12-13,15,24H,11,14,16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine?
N,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine has a molecular weight of 384.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pyridin-2-yl-6-[2-(quinolin-8-ylmethylamino)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 46974126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).