N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H25N5O — CID 86972141

IUPACN-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2CCCOC2C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C16H25N5O/c1-11-8-13(21-15(20-11)18-10-19-21)17-9-12-6-5-7-22-14(12)16(2,3)4/h8,10,12,14,17H,5-7,9H2,1-4H3
InChIKeyBOYBZQXZUYUTBT-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.69
Rot. Bonds3

About N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 86972141) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID86972141
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2CCCOC2C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C16H25N5O/c1-11-8-13(21-15(20-11)18-10-19-21)17-9-12-6-5-7-22-14(12)16(2,3)4/h8,10,12,14,17H,5-7,9H2,1-4H3
InChIKeyBOYBZQXZUYUTBT-UHFFFAOYSA-N
XLogP2.69
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106128208
N-[(3-chlorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114146717
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293413
N-[(2,2-difluorocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 146130247
5-(methoxymethyl)-N-[(2-phenyloxan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133274615
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63226890
5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 113346594
5-methyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95314538
5-phenyl-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133353393
5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133332136
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 33386676

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 86972141) is N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC2CCCOC2C(C)(C)C)n2ncnc2n1.
What is the InChIKey of N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BOYBZQXZUYUTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11-8-13(21-15(20-11)18-10-19-21)17-9-12-6-5-7-22-14(12)16(2,3)4/h8,10,12,14,17H,5-7,9H2,1-4H3.
What are the key properties of N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 303.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxan-3-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 86972141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).