6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine

C18H22N6O — CID 95201176

IUPAC6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine
SMILESCc1nc(CCN)cc(N[C@@H](C)c2nc(-c3ccccc3C)no2)n1
InChIInChI=1S/C18H22N6O/c1-11-6-4-5-7-15(11)17-23-18(25-24-17)12(2)20-16-10-14(8-9-19)21-13(3)22-16/h4-7,10,12H,8-9,19H2,1-3H3,(H,20,21,22)/t12-/m0/s1
InChIKeyWPGVAJULXUBLNC-LBPRGKRZSA-N
MW338.42 g/mol
LogP2.82
Rot. Bonds6

About 6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine

6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine (PubChem CID 95201176) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine
PubChem CID95201176
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine
SMILESCc1nc(CCN)cc(N[C@@H](C)c2nc(-c3ccccc3C)no2)n1
InChIInChI=1S/C18H22N6O/c1-11-6-4-5-7-15(11)17-23-18(25-24-17)12(2)20-16-10-14(8-9-19)21-13(3)22-16/h4-7,10,12H,8-9,19H2,1-3H3,(H,20,21,22)/t12-/m0/s1
InChIKeyWPGVAJULXUBLNC-LBPRGKRZSA-N
XLogP2.82
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 56714969
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347498
ethyl 3-methyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481020
2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 125443326
2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 131905398
(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373
5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 63773018
3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid
CID 119912223
(2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide
CID 97095296
6-ethyl-2-methyl-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]pyrimidin-4-amine
CID 133472609
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 43358487
N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 131890638

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine (CID 95201176) is 6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine is Cc1nc(CCN)cc(N[C@@H](C)c2nc(-c3ccccc3C)no2)n1.
What is the InChIKey of 6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine?
The InChIKey is WPGVAJULXUBLNC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11-6-4-5-7-15(11)17-23-18(25-24-17)12(2)20-16-10-14(8-9-19)21-13(3)22-16/h4-7,10,12H,8-9,19H2,1-3H3,(H,20,21,22)/t12-/m0/s1.
What are the key properties of 6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine?
6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-2-methyl-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 95201176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).