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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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).