N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

C18H25N5 — CID 112868823

IUPACN,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(N(C)CCc2ccncc2)cc(N2CCCCC2)n1
InChIInChI=1S/C18H25N5/c1-15-20-17(14-18(21-15)23-11-4-3-5-12-23)22(2)13-8-16-6-9-19-10-7-16/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3
InChIKeyRLXAQWCNLRFFHL-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.85
Rot. Bonds5

About N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 112868823) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID112868823
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(N(C)CCc2ccncc2)cc(N2CCCCC2)n1
InChIInChI=1S/C18H25N5/c1-15-20-17(14-18(21-15)23-11-4-3-5-12-23)22(2)13-8-16-6-9-19-10-7-16/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3
InChIKeyRLXAQWCNLRFFHL-UHFFFAOYSA-N
XLogP2.85
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909455
5-(azepan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112954718
2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 166605105
2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
CID 165433055
4-N,2-dimethyl-6-N-(3-methylbutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112874371
N-cyclohexyl-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109363969
6-N-(3,4-dimethylphenyl)-4-N,2-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112874388
N-methyl-N-(2-pyridin-4-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112861801
N-methyl-6-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112861788
2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921458
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carbonitrile
CID 114765911
4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112895671

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (CID 112868823) is N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is Cc1nc(N(C)CCc2ccncc2)cc(N2CCCCC2)n1.
What is the InChIKey of N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is RLXAQWCNLRFFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-15-20-17(14-18(21-15)23-11-4-3-5-12-23)22(2)13-8-16-6-9-19-10-7-16/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3.
What are the key properties of N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-piperidin-1-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 112868823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).