N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine

C18H24N6O — CID 20979817

IUPACN-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(CC)Cc1cc(Nc2cc(C)nc3cnnn23)ccc1OC
InChIInChI=1S/C18H24N6O/c1-5-23(6-2)12-14-10-15(7-8-16(14)25-4)21-17-9-13(3)20-18-11-19-22-24(17)18/h7-11,21H,5-6,12H2,1-4H3
InChIKeyLROCXFVCTVLDKE-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.03
Rot. Bonds7

About N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine

N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine (PubChem CID 20979817) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine
PubChem CID20979817
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(CC)Cc1cc(Nc2cc(C)nc3cnnn23)ccc1OC
InChIInChI=1S/C18H24N6O/c1-5-23(6-2)12-14-10-15(7-8-16(14)25-4)21-17-9-13(3)20-18-11-19-22-24(17)18/h7-11,21H,5-6,12H2,1-4H3
InChIKeyLROCXFVCTVLDKE-UHFFFAOYSA-N
XLogP3.03
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyphenyl)-N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895301
N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895294
2-ethyl-5-methyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22432248
N-(4-ethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308128
N-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914414
6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile
CID 115143180
N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 71779752
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308295
4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868353
5-methyl-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22575555
[[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea
CID 168532425
N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 115143741

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine (CID 20979817) is N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine is CCN(CC)Cc1cc(Nc2cc(C)nc3cnnn23)ccc1OC.
What is the InChIKey of N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LROCXFVCTVLDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-5-23(6-2)12-14-10-15(7-8-16(14)25-4)21-17-9-13(3)20-18-11-19-22-24(17)18/h7-11,21H,5-6,12H2,1-4H3.
What are the key properties of N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine?
N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 340.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylaminomethyl)-4-methoxyphenyl]-5-methyltriazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 20979817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).