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

Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
SB-220025
CID 5164
Msx-122
CID 11687907
4-Phenylpyrimidine
CID 18923
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
Amprolium ion
CID 2178
VK-19911
CID 9797240
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
Pik-iii
CID 67983123
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174

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).