N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine

C26H28N6 — CID 92607008

IUPACN,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
SMILESCN(C)c1cc([C@H]2CCCN(Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C26H28N6/c1-31(2)25-16-24(29-26(30-25)19-10-13-27-14-11-19)21-7-5-15-32(18-21)17-20-6-3-9-23-22(20)8-4-12-28-23/h3-4,6,8-14,16,21H,5,7,15,17-18H2,1-2H3/t21-/m0/s1
InChIKeyBPEPDYVHJXPJJY-NRFANRHFSA-N
MW424.55 g/mol
LogP4.53
Rot. Bonds5

About N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine

N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine (PubChem CID 92607008) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
PubChem CID92607008
Molecular FormulaC26H28N6
Molecular Weight424.55 g/mol
Exact Mass424.24
IUPAC NameN,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
SMILESCN(C)c1cc([C@H]2CCCN(Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C26H28N6/c1-31(2)25-16-24(29-26(30-25)19-10-13-27-14-11-19)21-7-5-15-32(18-21)17-20-6-3-9-23-22(20)8-4-12-28-23/h3-4,6,8-14,16,21H,5,7,15,17-18H2,1-2H3/t21-/m0/s1
InChIKeyBPEPDYVHJXPJJY-NRFANRHFSA-N
XLogP4.53
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine (CID 92607008) is N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine is CN(C)c1cc([C@H]2CCCN(Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1.
What is the InChIKey of N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is BPEPDYVHJXPJJY-NRFANRHFSA-N. The full InChI is InChI=1S/C26H28N6/c1-31(2)25-16-24(29-26(30-25)19-10-13-27-14-11-19)21-7-5-15-32(18-21)17-20-6-3-9-23-22(20)8-4-12-28-23/h3-4,6,8-14,16,21H,5,7,15,17-18H2,1-2H3/t21-/m0/s1.
What are the key properties of N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 424.55 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 92607008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).