N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine

C16H21N7 — CID 131939533

IUPACN-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine
SMILESc1ncc(CNC23CC4CC(C2)CC(n2ncnn2)(C4)C3)cn1
InChIInChI=1S/C16H21N7/c1-12-2-15(19-8-14-6-17-10-18-7-14)3-13(1)5-16(4-12,9-15)23-21-11-20-22-23/h6-7,10-13,19H,1-5,8-9H2
InChIKeyIQJXLSOUXRTPER-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.30
Rot. Bonds4

About N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine

N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine (PubChem CID 131939533) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine.

Molecular Properties

Compound NameN-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine
PubChem CID131939533
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC NameN-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine
SMILESc1ncc(CNC23CC4CC(C2)CC(n2ncnn2)(C4)C3)cn1
InChIInChI=1S/C16H21N7/c1-12-2-15(19-8-14-6-17-10-18-7-14)3-13(1)5-16(4-12,9-15)23-21-11-20-22-23/h6-7,10-13,19H,1-5,8-9H2
InChIKeyIQJXLSOUXRTPER-UHFFFAOYSA-N
XLogP1.30
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine
CID 131924668
N-(pyrimidin-5-ylmethyl)adamantan-1-amine
CID 62758937
2-methyl-4-[5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]thiophen-2-yl]but-3-yn-2-ol
CID 131922914
N-[3-(5-methylfuran-2-yl)butyl]-3-(tetrazol-2-yl)adamantan-1-amine
CID 131951228
3-(2-aminopyrimidin-5-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]prop-2-enamide
CID 171139595
4-[(5-methyltetrazol-1-yl)methyl]-N-[3-(tetrazol-2-yl)-1-adamantyl]benzamide
CID 131931453
2-[(5S,7S)-3-(tetrazol-2-yl)-1-adamantyl]acetohydrazide
CID 98138161
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
CID 131902137
1-[2-[[3-(tetrazol-2-yl)-1-adamantyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 134707002
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
CID 131932570
(2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride
CID 154913430
1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide
CID 131932557

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine?
The IUPAC name of N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine (CID 131939533) is N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine.
What is the SMILES notation for N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine?
The canonical SMILES for N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine is c1ncc(CNC23CC4CC(C2)CC(n2ncnn2)(C4)C3)cn1.
What is the InChIKey of N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine?
The InChIKey is IQJXLSOUXRTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-12-2-15(19-8-14-6-17-10-18-7-14)3-13(1)5-16(4-12,9-15)23-21-11-20-22-23/h6-7,10-13,19H,1-5,8-9H2.
What are the key properties of N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine?
N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine has a molecular weight of 311.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine is sourced from PubChem (CID 131939533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).