1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine

C20H29N5 — CID 45186889

IUPAC1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1nc(N2CCCCCCC2)ncc1C(C)NCc1ccncc1
InChIInChI=1S/C20H29N5/c1-16(22-14-18-8-10-21-11-9-18)19-15-23-20(24-17(19)2)25-12-6-4-3-5-7-13-25/h8-11,15-16,22H,3-7,12-14H2,1-2H3
InChIKeyKQAOHFOUBMOQSH-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.80
Rot. Bonds5

About 1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine

1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 45186889) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID45186889
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1nc(N2CCCCCCC2)ncc1C(C)NCc1ccncc1
InChIInChI=1S/C20H29N5/c1-16(22-14-18-8-10-21-11-9-18)19-15-23-20(24-17(19)2)25-12-6-4-3-5-7-13-25/h8-11,15-16,22H,3-7,12-14H2,1-2H3
InChIKeyKQAOHFOUBMOQSH-UHFFFAOYSA-N
XLogP3.80
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-[(2,3-dimethylimidazol-4-yl)methyl]ethanamine
CID 45244991
N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]propan-2-amine
CID 45237769
5-(1-chloroethyl)-4-methyl-2-piperidin-1-ylpyrimidine
CID 62771919
2-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112884645
(1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol
CID 103431371
N-[1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62769429
1-[4-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethylamino]piperidin-1-yl]ethanone
CID 45180307
N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]but-3-enamide
CID 45197817
2-amino-N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]pyridine-4-carboxamide
CID 45170794
1-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-3-prop-2-enylurea
CID 45180707
N-[1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 72931478
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine (CID 45186889) is 1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine is Cc1nc(N2CCCCCCC2)ncc1C(C)NCc1ccncc1.
What is the InChIKey of 1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is KQAOHFOUBMOQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-16(22-14-18-8-10-21-11-9-18)19-15-23-20(24-17(19)2)25-12-6-4-3-5-7-13-25/h8-11,15-16,22H,3-7,12-14H2,1-2H3.
What are the key properties of 1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine?
1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 339.49 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 45186889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).