N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H25N5O2 — CID 124886119

IUPACN-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)n2ncnc2n1
InChIInChI=1S/C20H25N5O2/c1-20(2)16(11-17(20)27-15-8-6-5-7-9-15)24(3)18-10-14(12-26-4)23-19-21-13-22-25(18)19/h5-10,13,16-17H,11-12H2,1-4H3/t16-,17-/m1/s1
InChIKeyONBZWNAHBCAKBM-IAGOWNOFSA-N
MW367.45 g/mol
LogP2.95
Rot. Bonds6

About N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 124886119) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID124886119
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)n2ncnc2n1
InChIInChI=1S/C20H25N5O2/c1-20(2)16(11-17(20)27-15-8-6-5-7-9-15)24(3)18-10-14(12-26-4)23-19-21-13-22-25(18)19/h5-10,13,16-17H,11-12H2,1-4H3/t16-,17-/m1/s1
InChIKeyONBZWNAHBCAKBM-IAGOWNOFSA-N
XLogP2.95
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-(methoxymethyl)-N-methyl-N-(1-phenylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133315989
5-(methoxymethyl)-N-(2-phenyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133474303
N-[cyclopropyl-(4-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133346764
5-(methoxymethyl)-N-[[(1S,2R)-2-phenylcyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99104311
2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-propan-2-ylamino]ethanol
CID 100672955
N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133353715
N-[(4-chloro-3-fluorophenyl)methyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133431042
5-(methoxymethyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133491841
5-(methoxymethyl)-N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356711
5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 130626781
5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133274615
5-(methoxymethyl)-N-[(1-methylcyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293719

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 124886119) is N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCc1cc(N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)n2ncnc2n1.
What is the InChIKey of N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ONBZWNAHBCAKBM-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-20(2)16(11-17(20)27-15-8-6-5-7-9-15)24(3)18-10-14(12-26-4)23-19-21-13-22-25(18)19/h5-10,13,16-17H,11-12H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 367.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 124886119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).