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

C22H27N5 — CID 110089038

IUPACN,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCNc1cc(CC2CCN(Cc3cccc4ncccc34)CC2)nc(C)n1
InChIInChI=1S/C22H27N5/c1-16-25-19(14-22(23-2)26-16)13-17-8-11-27(12-9-17)15-18-5-3-7-21-20(18)6-4-10-24-21/h3-7,10,14,17H,8-9,11-13,15H2,1-2H3,(H,23,25,26)
InChIKeyJPKPJZBVUKJKBC-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.83
Rot. Bonds5

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

N,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 110089038) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is N,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
PubChem CID110089038
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC NameN,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCNc1cc(CC2CCN(Cc3cccc4ncccc34)CC2)nc(C)n1
InChIInChI=1S/C22H27N5/c1-16-25-19(14-22(23-2)26-16)13-17-8-11-27(12-9-17)15-18-5-3-7-21-20(18)6-4-10-24-21/h3-7,10,14,17H,8-9,11-13,15H2,1-2H3,(H,23,25,26)
InChIKeyJPKPJZBVUKJKBC-UHFFFAOYSA-N
XLogP3.83
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine (CID 110089038) is N,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine is CNc1cc(CC2CCN(Cc3cccc4ncccc34)CC2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is JPKPJZBVUKJKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-16-25-19(14-22(23-2)26-16)13-17-8-11-27(12-9-17)15-18-5-3-7-21-20(18)6-4-10-24-21/h3-7,10,14,17H,8-9,11-13,15H2,1-2H3,(H,23,25,26).
What are the key properties of N,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
N,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 361.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[[1-(quinolin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 110089038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).