N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine

C21H30N8O — CID 131924668

IUPACN-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine
SMILESc1nnn(C23CC4CC(CC(NCc5cnc(NCC6CCCO6)nc5)(C4)C2)C3)n1
InChIInChI=1S/C21H30N8O/c1-2-18(30-3-1)12-24-19-22-9-17(10-23-19)11-25-20-5-15-4-16(6-20)8-21(7-15,13-20)29-27-14-26-28-29/h9-10,14-16,18,25H,1-8,11-13H2,(H,22,23,24)
InChIKeyWXDSNLQJZQJDIT-UHFFFAOYSA-N
MW410.53 g/mol
LogP1.89
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine

N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine (PubChem CID 131924668) has the molecular formula C21H30N8O and a molecular weight of 410.53 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine
PubChem CID131924668
Molecular FormulaC21H30N8O
Molecular Weight410.53 g/mol
Exact Mass410.25
IUPAC NameN-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine
SMILESc1nnn(C23CC4CC(CC(NCc5cnc(NCC6CCCO6)nc5)(C4)C2)C3)n1
InChIInChI=1S/C21H30N8O/c1-2-18(30-3-1)12-24-19-22-9-17(10-23-19)11-25-20-5-15-4-16(6-20)8-21(7-15,13-20)29-27-14-26-28-29/h9-10,14-16,18,25H,1-8,11-13H2,(H,22,23,24)
InChIKeyWXDSNLQJZQJDIT-UHFFFAOYSA-N
XLogP1.89
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine
CID 131939533
5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930314
5-(2-azaspiro[4.4]nonan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99930315
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
5-[(1-benzothiophen-5-ylmethylamino)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 131898849
N-(oxolan-2-ylmethyl)-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)pyrimidin-2-amine
CID 72887651
5-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 135119831
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99941314
5-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99931126
5-[[2-(azepan-1-yl)ethyl-methylamino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124679926

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine (CID 131924668) is N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine is c1nnn(C23CC4CC(CC(NCc5cnc(NCC6CCCO6)nc5)(C4)C2)C3)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine?
The InChIKey is WXDSNLQJZQJDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8O/c1-2-18(30-3-1)12-24-19-22-9-17(10-23-19)11-25-20-5-15-4-16(6-20)8-21(7-15,13-20)29-27-14-26-28-29/h9-10,14-16,18,25H,1-8,11-13H2,(H,22,23,24).
What are the key properties of N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine?
N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine has a molecular weight of 410.53 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-[[[3-(tetrazol-2-yl)-1-adamantyl]amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 131924668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).